1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione

C14H22N4O2 — CID 102591546

IUPAC1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(NC2=NCCCCC2)cc(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-10(2)9-18-12(8-13(19)17-14(18)20)16-11-6-4-3-5-7-15-11/h8,10H,3-7,9H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyDGRPRKZLBVWZAZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.58
Rot. Bonds3

About 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione

1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione (PubChem CID 102591546) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
PubChem CID102591546
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(NC2=NCCCCC2)cc(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-10(2)9-18-12(8-13(19)17-14(18)20)16-11-6-4-3-5-7-15-11/h8,10H,3-7,9H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyDGRPRKZLBVWZAZ-UHFFFAOYSA-N
XLogP1.58
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-dimethyl-6-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 16227797
6-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2512859
5-bromo-1,3-dimethyl-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
CID 17551001
6-(2,3,4,5,6,7-Hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 71469425
5-bromo-1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
CID 102591549
4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136755774
4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136952728
4-(azepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008977
4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009103

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione (CID 102591546) is 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione is CC(C)Cn1c(NC2=NCCCCC2)cc(=O)[nH]c1=O.
What is the InChIKey of 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione?
The InChIKey is DGRPRKZLBVWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)9-18-12(8-13(19)17-14(18)20)16-11-6-4-3-5-7-15-11/h8,10H,3-7,9H2,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione?
1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 102591546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).