5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 136976056

IUPAC5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyICKYMEVZVZZEMZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.44
Rot. Bonds5

About 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136976056) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136976056
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C10H18N4O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyICKYMEVZVZZEMZ-UHFFFAOYSA-N
XLogP0.44
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136976056) is 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(Nc1nc[nH]c(=O)c1N)C(C)C.
What is the InChIKey of 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ICKYMEVZVZZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).