4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine

C29H34FN7O3 — CID 58377203

IUPAC4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCCCc1nc(-c2cc(OC)cc(OC)c2)c(-c2ccnc(Nc3ccc(N4CCN(CCF)CC4)nc3)n2)o1
InChIInChI=1S/C29H34FN7O3/c1-4-5-26-35-27(20-16-22(38-2)18-23(17-20)39-3)28(40-26)24-8-10-31-29(34-24)33-21-6-7-25(32-19-21)37-14-12-36(11-9-30)13-15-37/h6-8,10,16-19H,4-5,9,11-15H2,1-3H3,(H,31,33,34)
InChIKeyGERGXETVKJFNRQ-UHFFFAOYSA-N
MW547.64 g/mol
LogP5.00
Rot. Bonds11

About 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine

4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 58377203) has the molecular formula C29H34FN7O3 and a molecular weight of 547.64 g/mol. Its IUPAC name is 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID58377203
Molecular FormulaC29H34FN7O3
Molecular Weight547.64 g/mol
Exact Mass547.27
IUPAC Name4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCCCc1nc(-c2cc(OC)cc(OC)c2)c(-c2ccnc(Nc3ccc(N4CCN(CCF)CC4)nc3)n2)o1
InChIInChI=1S/C29H34FN7O3/c1-4-5-26-35-27(20-16-22(38-2)18-23(17-20)39-3)28(40-26)24-8-10-31-29(34-24)33-21-6-7-25(32-19-21)37-14-12-36(11-9-30)13-15-37/h6-8,10,16-19H,4-5,9,11-15H2,1-3H3,(H,31,33,34)
InChIKeyGERGXETVKJFNRQ-UHFFFAOYSA-N
XLogP5.00
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Pf-04937319
CID 46916694
6-cyclopropyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165414922
3,5-dimethoxy-{N}-[4-(4-methoxyphenoxy)-2-[(6-morpholino-3-pyridyl)amino]pyrimidin-5-yl]benzamide
CID 155528777
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine
CID 155540794
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyridin-2-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610054
N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117610058
US10807959, Example 159
CID 146371017
2-(4-{[2-(4-Fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrimidine
CID 16188585
3,5-dimethoxy-{N}-[4-(4-methoxyphenoxy)-2-[[6-(1-piperidyl)-3-pyridyl]amino]pyrimidin-5-yl]benzamide
CID 155528948
N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyridine-2-carboxamide
CID 90665740
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
CID 90665745
N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
CID 90665751

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine (CID 58377203) is 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine is CCCc1nc(-c2cc(OC)cc(OC)c2)c(-c2ccnc(Nc3ccc(N4CCN(CCF)CC4)nc3)n2)o1.
What is the InChIKey of 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is GERGXETVKJFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O3/c1-4-5-26-35-27(20-16-22(38-2)18-23(17-20)39-3)28(40-26)24-8-10-31-29(34-24)33-21-6-7-25(32-19-21)37-14-12-36(11-9-30)13-15-37/h6-8,10,16-19H,4-5,9,11-15H2,1-3H3,(H,31,33,34).
What are the key properties of 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine?
4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 547.64 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-oxazol-5-yl]-N-[6-[4-(2-fluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 58377203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).