N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

C18H23N7 — CID 126887890

IUPACN-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncnc4cc(C)n(C)c34)CC2)ncn1
InChIInChI=1S/C18H23N7/c1-12-8-16(21-10-19-12)23-14-4-6-25(7-5-14)18-17-15(20-11-22-18)9-13(2)24(17)3/h8-11,14H,4-7H2,1-3H3,(H,19,21,23)
InChIKeyCJCRADKAUOWTTQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887890) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887890
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncnc4cc(C)n(C)c34)CC2)ncn1
InChIInChI=1S/C18H23N7/c1-12-8-16(21-10-19-12)23-14-4-6-25(7-5-14)18-17-15(20-11-22-18)9-13(2)24(17)3/h8-11,14H,4-7H2,1-3H3,(H,19,21,23)
InChIKeyCJCRADKAUOWTTQ-UHFFFAOYSA-N
XLogP2.46
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880
N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887891

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887890) is N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3ncnc4cc(C)n(C)c34)CC2)ncn1.
What is the InChIKey of N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is CJCRADKAUOWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-12-8-16(21-10-19-12)23-14-4-6-25(7-5-14)18-17-15(20-11-22-18)9-13(2)24(17)3/h8-11,14H,4-7H2,1-3H3,(H,19,21,23).
What are the key properties of N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).