2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide

C15H24N4O2 — CID 163319538

IUPAC2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCOC1CCC(NC(=O)c2cc(C(C)C)nc(N)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-9(2)12-8-13(19-15(16)18-12)14(20)17-10-4-6-11(21-3)7-5-10/h8-11H,4-7H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeySIEJMXYJJUNDGY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 163319538) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID163319538
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCOC1CCC(NC(=O)c2cc(C(C)C)nc(N)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-9(2)12-8-13(19-15(16)18-12)14(20)17-10-4-6-11(21-3)7-5-10/h8-11H,4-7H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeySIEJMXYJJUNDGY-UHFFFAOYSA-N
XLogP1.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide (CID 163319538) is 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide is COC1CCC(NC(=O)c2cc(C(C)C)nc(N)n2)CC1.
What is the InChIKey of 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is SIEJMXYJJUNDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)12-8-13(19-15(16)18-12)14(20)17-10-4-6-11(21-3)7-5-10/h8-11H,4-7H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxycyclohexyl)-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 163319538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).