1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one

C17H26N6O — CID 166302165

IUPAC1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one
SMILESNC1CCC(Nc2nccc(N3CC(=O)N(CC4CC4)C3)n2)CC1
InChIInChI=1S/C17H26N6O/c18-13-3-5-14(6-4-13)20-17-19-8-7-15(21-17)22-10-16(24)23(11-22)9-12-1-2-12/h7-8,12-14H,1-6,9-11,18H2,(H,19,20,21)
InChIKeyARIRVOIDWWOWNC-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one

1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one (PubChem CID 166302165) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one
PubChem CID166302165
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one
SMILESNC1CCC(Nc2nccc(N3CC(=O)N(CC4CC4)C3)n2)CC1
InChIInChI=1S/C17H26N6O/c18-13-3-5-14(6-4-13)20-17-19-8-7-15(21-17)22-10-16(24)23(11-22)9-12-1-2-12/h7-8,12-14H,1-6,9-11,18H2,(H,19,20,21)
InChIKeyARIRVOIDWWOWNC-UHFFFAOYSA-N
XLogP1.17
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
4-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-bicyclo[4.2.0]octanyl)pyrimidin-2-amine
CID 90160188
N-[1-(4-aminocyclohexyl)piperidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine
CID 66904457
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
4-N-[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 140546351
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-(azepan-1-yl)-N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903182
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
4-[[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methyl]morpholine-3,5-dione
CID 66696890
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one?
The IUPAC name of 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one (CID 166302165) is 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one.
What is the SMILES notation for 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one?
The canonical SMILES for 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one is NC1CCC(Nc2nccc(N3CC(=O)N(CC4CC4)C3)n2)CC1.
What is the InChIKey of 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one?
The InChIKey is ARIRVOIDWWOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c18-13-3-5-14(6-4-13)20-17-19-8-7-15(21-17)22-10-16(24)23(11-22)9-12-1-2-12/h7-8,12-14H,1-6,9-11,18H2,(H,19,20,21).
What are the key properties of 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one?
1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one has a molecular weight of 330.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-3-(cyclopropylmethyl)imidazolidin-4-one is sourced from PubChem (CID 166302165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).