6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

C15H25N3O2 — CID 86345957

IUPAC6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(N[C@@H](C)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h9-12,16H,4-8H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyUWRBKKFIZNDCEU-NSHDSACASA-N
MW279.38 g/mol
LogP2.50
Rot. Bonds4

About 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 86345957) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID86345957
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(N[C@@H](C)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h9-12,16H,4-8H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyUWRBKKFIZNDCEU-NSHDSACASA-N
XLogP2.50
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 86345957) is 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(N[C@@H](C)C2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is UWRBKKFIZNDCEU-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h9-12,16H,4-8H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 86345957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).