6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

C18H31N3O2 — CID 123748404

IUPAC6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(CC1CCC(C)(C)CC1)Nc1cc(=O)n(C(C)C)c(=O)[nH]1
InChIInChI=1S/C18H31N3O2/c1-12(2)21-16(22)11-15(20-17(21)23)19-13(3)10-14-6-8-18(4,5)9-7-14/h11-14,19H,6-10H2,1-5H3,(H,20,23)
InChIKeyFMUZVMWHGQEBOT-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.52
Rot. Bonds5

About 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 123748404) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID123748404
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(CC1CCC(C)(C)CC1)Nc1cc(=O)n(C(C)C)c(=O)[nH]1
InChIInChI=1S/C18H31N3O2/c1-12(2)21-16(22)11-15(20-17(21)23)19-13(3)10-14-6-8-18(4,5)9-7-14/h11-14,19H,6-10H2,1-5H3,(H,20,23)
InChIKeyFMUZVMWHGQEBOT-UHFFFAOYSA-N
XLogP3.52
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 123748404) is 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(CC1CCC(C)(C)CC1)Nc1cc(=O)n(C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is FMUZVMWHGQEBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-12(2)21-16(22)11-15(20-17(21)23)19-13(3)10-14-6-8-18(4,5)9-7-14/h11-14,19H,6-10H2,1-5H3,(H,20,23).
What are the key properties of 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 321.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4,4-dimethylcyclohexyl)propan-2-ylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 123748404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).