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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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).