4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

C19H24FN5O2 — CID 53010126

IUPAC4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(N2CCN(C(=O)NC(C)C)CC2)ncn1
InChIInChI=1S/C19H24FN5O2/c1-13(2)23-19(26)25-8-6-24(7-9-25)18-11-16(21-12-22-18)15-10-14(20)4-5-17(15)27-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,26)
InChIKeyITNPAJMZHUQZCB-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds4

About 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 53010126) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID53010126
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(N2CCN(C(=O)NC(C)C)CC2)ncn1
InChIInChI=1S/C19H24FN5O2/c1-13(2)23-19(26)25-8-6-24(7-9-25)18-11-16(21-12-22-18)15-10-14(20)4-5-17(15)27-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,26)
InChIKeyITNPAJMZHUQZCB-UHFFFAOYSA-N
XLogP2.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53104131
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 95084678
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 121107235
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 59509109
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103898
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 59509071
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342901
N-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104072
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one
CID 141365923

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (CID 53010126) is 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc(F)cc1-c1cc(N2CCN(C(=O)NC(C)C)CC2)ncn1.
What is the InChIKey of 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is ITNPAJMZHUQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-13(2)23-19(26)25-8-6-24(7-9-25)18-11-16(21-12-22-18)15-10-14(20)4-5-17(15)27-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,26).
What are the key properties of 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 53010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).