2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O2 — CID 63554814

IUPAC2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(N)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-6(11)8-12-9(14)7(5(2)3)10(15)13-8/h5-6H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyPXDMKJUQPOHHTG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63554814) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63554814
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(N)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-6(11)8-12-9(14)7(5(2)3)10(15)13-8/h5-6H,4,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyPXDMKJUQPOHHTG-UHFFFAOYSA-N
XLogP1.01
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-methylpropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550723
6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
CID 25421328
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613803
5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 150858519
2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734407
5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734449
2-(3-aminopentan-3-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55221125
5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 55221351
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221567
5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 55253718
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553557
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63553559

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63554814) is 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCC(N)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PXDMKJUQPOHHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6(11)8-12-9(14)7(5(2)3)10(15)13-8/h5-6H,4,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).