2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide

C15H25N5O2 — CID 71238006

IUPAC2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(NC(C)C)n2)CC1
InChIInChI=1S/C15H25N5O2/c1-9(2)18-14-12(13(16)21)8-17-15(20-14)19-10-4-6-11(22-3)7-5-10/h8-11H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyUFPBREQEYCTWAI-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.77
Rot. Bonds6

About 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide

2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 71238006) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID71238006
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(NC(C)C)n2)CC1
InChIInChI=1S/C15H25N5O2/c1-9(2)18-14-12(13(16)21)8-17-15(20-14)19-10-4-6-11(22-3)7-5-10/h8-11H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyUFPBREQEYCTWAI-UHFFFAOYSA-N
XLogP1.77
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 71238006) is 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide is COC1CCC(Nc2ncc(C(N)=O)c(NC(C)C)n2)CC1.
What is the InChIKey of 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is UFPBREQEYCTWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-9(2)18-14-12(13(16)21)8-17-15(20-14)19-10-4-6-11(22-3)7-5-10/h8-11H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide?
2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71238006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).