6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione

C14H23N3O2 — CID 67685133

IUPAC6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(C(N)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-2-8-17-12(18)9-11(16-14(17)19)13(15)10-6-4-3-5-7-10/h9-10,13H,2-8,15H2,1H3,(H,16,19)
InChIKeyACHLXJGPYRMEPK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.53
Rot. Bonds4

About 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione

6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione (PubChem CID 67685133) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione
PubChem CID67685133
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(C(N)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-2-8-17-12(18)9-11(16-14(17)19)13(15)10-6-4-3-5-7-10/h9-10,13H,2-8,15H2,1H3,(H,16,19)
InChIKeyACHLXJGPYRMEPK-UHFFFAOYSA-N
XLogP1.53
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione (CID 67685133) is 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)cc(C(N)C2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is ACHLXJGPYRMEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-8-17-12(18)9-11(16-14(17)19)13(15)10-6-4-3-5-7-10/h9-10,13H,2-8,15H2,1H3,(H,16,19).
What are the key properties of 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione?
6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(cyclohexyl)methyl]-3-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67685133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).