4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

C14H24N4O — CID 136958273

IUPAC4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCCNC1CCC(N(C)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-15-11-4-6-12(7-5-11)18(2)13-9-14(19)17-10-16-13/h9-12,15H,3-8H2,1-2H3,(H,16,17,19)
InChIKeyUCHBLEZHGFGWPQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.52
Rot. Bonds5

About 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136958273) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136958273
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCCNC1CCC(N(C)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-15-11-4-6-12(7-5-11)18(2)13-9-14(19)17-10-16-13/h9-12,15H,3-8H2,1-2H3,(H,16,17,19)
InChIKeyUCHBLEZHGFGWPQ-UHFFFAOYSA-N
XLogP1.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine
CID 79122066
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 115993876
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
CID 79122875
1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
CID 79123252
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114763258
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 137008098

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136958273) is 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CCCNC1CCC(N(C)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is UCHBLEZHGFGWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-15-11-4-6-12(7-5-11)18(2)13-9-14(19)17-10-16-13/h9-12,15H,3-8H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).