2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one

C10H18N4O — CID 135437376

IUPAC2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)CC(C)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-5(2)4-6(3)7-8(11)13-10(12)14-9(7)15/h5-6H,4H2,1-3H3,(H5,11,12,13,14,15)
InChIKeyYZJWZJOAVHRIMC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.08
Rot. Bonds3

About 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one

2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135437376) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one
PubChem CID135437376
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)CC(C)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-5(2)4-6(3)7-8(11)13-10(12)14-9(7)15/h5-6H,4H2,1-3H3,(H5,11,12,13,14,15)
InChIKeyYZJWZJOAVHRIMC-UHFFFAOYSA-N
XLogP1.08
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one (CID 135437376) is 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one is CC(C)CC(C)c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YZJWZJOAVHRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-5(2)4-6(3)7-8(11)13-10(12)14-9(7)15/h5-6H,4H2,1-3H3,(H5,11,12,13,14,15).
What are the key properties of 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one?
2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(4-methylpentan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135437376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).