N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine

C25H21N7O — CID 129033206

IUPACN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine
SMILESCOc1cc(CNc2nccc(-c3cc4cccnc4cn3)n2)cnc1-c1ccnc(C)c1
InChIInChI=1S/C25H21N7O/c1-16-10-19(5-8-26-16)24-23(33-2)11-17(13-30-24)14-31-25-28-9-6-20(32-25)21-12-18-4-3-7-27-22(18)15-29-21/h3-13,15H,14H2,1-2H3,(H,28,31,32)
InChIKeySRZKWINCNLFWEE-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.47
Rot. Bonds6

About N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine

N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine (PubChem CID 129033206) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine
PubChem CID129033206
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine
SMILESCOc1cc(CNc2nccc(-c3cc4cccnc4cn3)n2)cnc1-c1ccnc(C)c1
InChIInChI=1S/C25H21N7O/c1-16-10-19(5-8-26-16)24-23(33-2)11-17(13-30-24)14-31-25-28-9-6-20(32-25)21-12-18-4-3-7-27-22(18)15-29-21/h3-13,15H,14H2,1-2H3,(H,28,31,32)
InChIKeySRZKWINCNLFWEE-UHFFFAOYSA-N
XLogP4.47
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine with MolForge

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Related Compounds

N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(1,7-naphthyridin-6-yl)-1,2,4-thiadiazol-3-amine
CID 126751876
N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-quinolin-6-yl-1,2,4-thiadiazol-3-amine
CID 129033207
3-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033215
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
N-propyl-4-quinolin-7-ylpyrimidin-2-amine
CID 81221832
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 24989920
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
CID 145293382
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyrimidin-2-amine
CID 129033196

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine?
The IUPAC name of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine (CID 129033206) is N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine?
The canonical SMILES for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine is COc1cc(CNc2nccc(-c3cc4cccnc4cn3)n2)cnc1-c1ccnc(C)c1.
What is the InChIKey of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine?
The InChIKey is SRZKWINCNLFWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-16-10-19(5-8-26-16)24-23(33-2)11-17(13-30-24)14-31-25-28-9-6-20(32-25)21-12-18-4-3-7-27-22(18)15-29-21/h3-13,15H,14H2,1-2H3,(H,28,31,32).
What are the key properties of N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine?
N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine has a molecular weight of 435.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(1,7-naphthyridin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 129033206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).