2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 135459457

IUPAC2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1CC(C)O
InChIInChI=1S/C8H13N3O2/c1-4(12)3-6-5(2)10-8(9)11-7(6)13/h4,12H,3H2,1-2H3,(H3,9,10,11,13)
InChIKeyOMIZSFVPNOSKHC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.42
Rot. Bonds2

About 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one

2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459457) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135459457
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1CC(C)O
InChIInChI=1S/C8H13N3O2/c1-4(12)3-6-5(2)10-8(9)11-7(6)13/h4,12H,3H2,1-2H3,(H3,9,10,11,13)
InChIKeyOMIZSFVPNOSKHC-UHFFFAOYSA-N
XLogP-0.42
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one (CID 135459457) is 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1CC(C)O.
What is the InChIKey of 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is OMIZSFVPNOSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4(12)3-6-5(2)10-8(9)11-7(6)13/h4,12H,3H2,1-2H3,(H3,9,10,11,13).
What are the key properties of 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).