5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine

C20H23N5O — CID 166471120

IUPAC5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine
SMILESCOc1cnccc1Nc1cnc(Nc2ccc(CC(C)C)cc2)nc1
InChIInChI=1S/C20H23N5O/c1-14(2)10-15-4-6-16(7-5-15)25-20-22-11-17(12-23-20)24-18-8-9-21-13-19(18)26-3/h4-9,11-14H,10H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyBPGFVYYMWFFGPC-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.57
Rot. Bonds7

About 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine

5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine (PubChem CID 166471120) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine
PubChem CID166471120
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine
SMILESCOc1cnccc1Nc1cnc(Nc2ccc(CC(C)C)cc2)nc1
InChIInChI=1S/C20H23N5O/c1-14(2)10-15-4-6-16(7-5-15)25-20-22-11-17(12-23-20)24-18-8-9-21-13-19(18)26-3/h4-9,11-14H,10H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyBPGFVYYMWFFGPC-UHFFFAOYSA-N
XLogP4.57
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[4-(2-methylpropyl)phenyl]-5-N-[2-[[4-[[2-(4-propan-2-yloxyanilino)pyrimidin-5-yl]amino]-3-pyridinyl]methylamino]-4-pyridinyl]pyrimidine-2,5-diamine
CID 166471082
(3-cyclopentyloxy-4-pyridinyl)-[2-[2-methoxy-4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone
CID 167301628
5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine
CID 166471142
2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine
CID 166471236
(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone
CID 166471158
2-methoxy-N-methyl-5-(2-methylpropyl)aniline
CID 138652047
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
2-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066190
2-methyl-3-[4-(pyrimidin-2-ylamino)phenyl]propanoic acid
CID 82514047
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine
CID 163311699
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine?
The IUPAC name of 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine (CID 166471120) is 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine?
The canonical SMILES for 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine is COc1cnccc1Nc1cnc(Nc2ccc(CC(C)C)cc2)nc1.
What is the InChIKey of 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine?
The InChIKey is BPGFVYYMWFFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)10-15-4-6-16(7-5-15)25-20-22-11-17(12-23-20)24-18-8-9-21-13-19(18)26-3/h4-9,11-14H,10H2,1-3H3,(H,21,24)(H,22,23,25).
What are the key properties of 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine?
5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine has a molecular weight of 349.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 166471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).