2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine

C16H22N6O — CID 154745874

IUPAC2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1nc(C)cc(NCc2cc(C)nc(N3CCCC3)n2)n1
InChIInChI=1S/C16H22N6O/c1-11-8-13(20-15(18-11)22-6-4-5-7-22)10-17-14-9-12(2)19-16(21-14)23-3/h8-9H,4-7,10H2,1-3H3,(H,17,19,21)
InChIKeyGNUDMBJXMVEOEE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds5

About 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine

2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 154745874) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID154745874
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1nc(C)cc(NCc2cc(C)nc(N3CCCC3)n2)n1
InChIInChI=1S/C16H22N6O/c1-11-8-13(20-15(18-11)22-6-4-5-7-22)10-17-14-9-12(2)19-16(21-14)23-3/h8-9H,4-7,10H2,1-3H3,(H,17,19,21)
InChIKeyGNUDMBJXMVEOEE-UHFFFAOYSA-N
XLogP2.10
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol
CID 155954179
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 166225722
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353004
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
N-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-amine
CID 146148995
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352279

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine (CID 154745874) is 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine is COc1nc(C)cc(NCc2cc(C)nc(N3CCCC3)n2)n1.
What is the InChIKey of 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is GNUDMBJXMVEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-8-13(20-15(18-11)22-6-4-5-7-22)10-17-14-9-12(2)19-16(21-14)23-3/h8-9H,4-7,10H2,1-3H3,(H,17,19,21).
What are the key properties of 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine?
2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 154745874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).