4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C15H17N7O — CID 175733738

IUPAC4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ncccc1CNc1ccnc(Nc2cnn(C)c2)n1
InChIInChI=1S/C15H17N7O/c1-22-10-12(9-19-22)20-15-17-7-5-13(21-15)18-8-11-4-3-6-16-14(11)23-2/h3-7,9-10H,8H2,1-2H3,(H2,17,18,20,21)
InChIKeyDOVIFPWWKBFJJY-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.97
Rot. Bonds6

About 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 175733738) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID175733738
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCOc1ncccc1CNc1ccnc(Nc2cnn(C)c2)n1
InChIInChI=1S/C15H17N7O/c1-22-10-12(9-19-22)20-15-17-7-5-13(21-15)18-8-11-4-3-6-16-14(11)23-2/h3-7,9-10H,8H2,1-2H3,(H2,17,18,20,21)
InChIKeyDOVIFPWWKBFJJY-UHFFFAOYSA-N
XLogP1.97
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 175733728
2-[(1-methylpyrazol-4-yl)amino]-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-5-carboxamide
CID 154628208
2,4-difluoro-3-[[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 90031109
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
3,5-difluoro-N,N-dimethyl-4-[[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]benzamide
CID 72706529
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 175733738) is 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is COc1ncccc1CNc1ccnc(Nc2cnn(C)c2)n1.
What is the InChIKey of 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is DOVIFPWWKBFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-22-10-12(9-19-22)20-15-17-7-5-13(21-15)18-8-11-4-3-6-16-14(11)23-2/h3-7,9-10H,8H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 311.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175733738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).