2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide

C17H27N5O — CID 91771967

IUPAC2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(N3CCCC3)CCCCC2)nc(N)n1
InChIInChI=1S/C17H27N5O/c1-13-11-14(21-16(18)20-13)15(23)19-12-17(7-3-2-4-8-17)22-9-5-6-10-22/h11H,2-10,12H2,1H3,(H,19,23)(H2,18,20,21)
InChIKeyHQUFZXKKLVPDCM-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide

2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide (PubChem CID 91771967) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
PubChem CID91771967
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(N3CCCC3)CCCCC2)nc(N)n1
InChIInChI=1S/C17H27N5O/c1-13-11-14(21-16(18)20-13)15(23)19-12-17(7-3-2-4-8-17)22-9-5-6-10-22/h11H,2-10,12H2,1H3,(H,19,23)(H2,18,20,21)
InChIKeyHQUFZXKKLVPDCM-UHFFFAOYSA-N
XLogP1.90
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide
CID 131930346
2-amino-6-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-4-carboxamide
CID 56702160
2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide
CID 70755176
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide
CID 102602881
2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
CID 56711486
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide
CID 136576756
2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 114220417
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide (CID 91771967) is 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2(N3CCCC3)CCCCC2)nc(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is HQUFZXKKLVPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13-11-14(21-16(18)20-13)15(23)19-12-17(7-3-2-4-8-17)22-9-5-6-10-22/h11H,2-10,12H2,1H3,(H,19,23)(H2,18,20,21).
What are the key properties of 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91771967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).