2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one

C16H26N4O — CID 136958276

IUPAC2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one
SMILESCCNC1CCC(N(C)c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4O/c1-3-17-12-6-8-13(9-7-12)20(2)14-10-15(21)19-16(18-14)11-4-5-11/h10-13,17H,3-9H2,1-2H3,(H,18,19,21)
InChIKeyIJYAGEQDSWQGKH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds5

About 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one (PubChem CID 136958276) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one
PubChem CID136958276
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one
SMILESCCNC1CCC(N(C)c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4O/c1-3-17-12-6-8-13(9-7-12)20(2)14-10-15(21)19-16(18-14)11-4-5-11/h10-13,17H,3-9H2,1-2H3,(H,18,19,21)
InChIKeyIJYAGEQDSWQGKH-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850
4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136704107
2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726431
2-cyclopropyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731499
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501
2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752201
2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752207
4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136755774
4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136755779
2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778290

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one (CID 136958276) is 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one is CCNC1CCC(N(C)c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one?
The InChIKey is IJYAGEQDSWQGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-17-12-6-8-13(9-7-12)20(2)14-10-15(21)19-16(18-14)11-4-5-11/h10-13,17H,3-9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one has a molecular weight of 290.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[4-(ethylamino)cyclohexyl]-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).