4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H22N4O — CID 136757200

IUPAC4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)(CC)CCN)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-4-9-14-10(8-11(17)15-9)16-12(3,5-2)6-7-13/h8H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyXNHDOLZUQLMDCS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds6

About 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136757200) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136757200
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)(CC)CCN)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-4-9-14-10(8-11(17)15-9)16-12(3,5-2)6-7-13/h8H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyXNHDOLZUQLMDCS-UHFFFAOYSA-N
XLogP1.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136757200) is 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(C)(CC)CCN)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is XNHDOLZUQLMDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-9-14-10(8-11(17)15-9)16-12(3,5-2)6-7-13/h8H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methylpentan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136757200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).