6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C14H24N4O2 — CID 61368693

IUPAC6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2(C)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-9(2)8-18-11(15)10(12(19)16-13(18)20)17-14(3)6-4-5-7-14/h9,17H,4-8,15H2,1-3H3,(H,16,19,20)
InChIKeyNFIVIESCADHJHV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.52
Rot. Bonds4

About 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 61368693) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID61368693
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2(C)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-9(2)8-18-11(15)10(12(19)16-13(18)20)17-14(3)6-4-5-7-14/h9,17H,4-8,15H2,1-3H3,(H,16,19,20)
InChIKeyNFIVIESCADHJHV-UHFFFAOYSA-N
XLogP1.52
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 61368693) is 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2(C)CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is NFIVIESCADHJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)8-18-11(15)10(12(19)16-13(18)20)17-14(3)6-4-5-7-14/h9,17H,4-8,15H2,1-3H3,(H,16,19,20).
What are the key properties of 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 61368693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).