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

C10H18N4O2 — CID 136870579

IUPAC4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CN)COC)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O2/c1-3-8-13-9(4-10(15)14-8)12-7(5-11)6-16-2/h4,7H,3,5-6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyRWUJLKIEELWVSY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.28
Rot. Bonds6

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

4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136870579) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136870579
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(CN)COC)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O2/c1-3-8-13-9(4-10(15)14-8)12-7(5-11)6-16-2/h4,7H,3,5-6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyRWUJLKIEELWVSY-UHFFFAOYSA-N
XLogP-0.28
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136870579) is 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(CN)COC)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is RWUJLKIEELWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-8-13-9(4-10(15)14-8)12-7(5-11)6-16-2/h4,7H,3,5-6,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3-methoxypropan-2-yl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).