6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione

C11H18N4O3 — CID 55082346

IUPAC6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NC2(CO)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-15-8(12)7(9(17)13-10(15)18)14-11(6-16)4-2-3-5-11/h14,16H,2-6,12H2,1H3,(H,13,17,18)
InChIKeySGUCVROFBJPCII-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.63
Rot. Bonds3

About 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione (PubChem CID 55082346) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione
PubChem CID55082346
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NC2(CO)CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-15-8(12)7(9(17)13-10(15)18)14-11(6-16)4-2-3-5-11/h14,16H,2-6,12H2,1H3,(H,13,17,18)
InChIKeySGUCVROFBJPCII-UHFFFAOYSA-N
XLogP-0.63
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione
CID 115731874
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 65118752
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
CID 113244340
6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione
CID 60649220
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 103844281
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368693
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione (CID 55082346) is 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NC2(CO)CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is SGUCVROFBJPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15-8(12)7(9(17)13-10(15)18)14-11(6-16)4-2-3-5-11/h14,16H,2-6,12H2,1H3,(H,13,17,18).
What are the key properties of 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 55082346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).