4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C9H15N3O2 — CID 63553742

IUPAC4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-5(2)10-4-7-11-8(13)6(3)9(14)12-7/h5,10H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyBFAJLTXJOZDFMZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.28
Rot. Bonds3

About 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 63553742) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID63553742
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-5(2)10-4-7-11-8(13)6(3)9(14)12-7/h5,10H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyBFAJLTXJOZDFMZ-UHFFFAOYSA-N
XLogP0.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 63553742) is 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is Cc1c(O)nc(CNC(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is BFAJLTXJOZDFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)10-4-7-11-8(13)6(3)9(14)12-7/h5,10H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63553742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).