2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane

C20H30N4O2 — CID 162141687

IUPAC2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane
SMILESC1CCC(OC2CC2)CC1.NC(=O)c1cnc(N)nc1CC1C2CC1C2
InChIInChI=1S/C11H14N4O.C9H16O/c12-10(16)8-4-14-11(13)15-9(8)3-7-5-1-6(7)2-5;1-2-4-8(5-3-1)10-9-6-7-9/h4-7H,1-3H2,(H2,12,16)(H2,13,14,15);8-9H,1-7H2
InChIKeyZJZVCSHZHBRDQE-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.85
Rot. Bonds5

About 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane

2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane (PubChem CID 162141687) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane.

Molecular Properties

Compound Name2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane
PubChem CID162141687
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane
SMILESC1CCC(OC2CC2)CC1.NC(=O)c1cnc(N)nc1CC1C2CC1C2
InChIInChI=1S/C11H14N4O.C9H16O/c12-10(16)8-4-14-11(13)15-9(8)3-7-5-1-6(7)2-5;1-2-4-8(5-3-1)10-9-6-7-9/h4-7H,1-3H2,(H2,12,16)(H2,13,14,15);8-9H,1-7H2
InChIKeyZJZVCSHZHBRDQE-UHFFFAOYSA-N
XLogP2.85
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide
CID 159800325
2-amino-4-[(3-hydroxycyclohexyl)methyl]pyrimidine-5-carboxamide;5,6,7,8-tetrahydroquinoline
CID 159199364
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 70976837
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1S,4S)-4-methoxycycloheptyl]methyl]pyrimidine-5-carboxamide
CID 148756561
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
CID 70687942
2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 162160086

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane?
The IUPAC name of 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane (CID 162141687) is 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane.
What is the SMILES notation for 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane?
The canonical SMILES for 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane is C1CCC(OC2CC2)CC1.NC(=O)c1cnc(N)nc1CC1C2CC1C2.
What is the InChIKey of 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane?
The InChIKey is ZJZVCSHZHBRDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.C9H16O/c12-10(16)8-4-14-11(13)15-9(8)3-7-5-1-6(7)2-5;1-2-4-8(5-3-1)10-9-6-7-9/h4-7H,1-3H2,(H2,12,16)(H2,13,14,15);8-9H,1-7H2.
What are the key properties of 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane?
2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane has a molecular weight of 358.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bicyclo[1.1.1]pentanylmethyl)pyrimidine-5-carboxamide;cyclopropyloxycyclohexane is sourced from PubChem (CID 162141687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).