2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 63554460

IUPAC2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCCN)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-2-4-7-9(14)12-8(5-3-6-11)13-10(7)15/h2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyBPYZKCSYKGPBAY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.32
Rot. Bonds5

About 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63554460) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63554460
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCCN)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-2-4-7-9(14)12-8(5-3-6-11)13-10(7)15/h2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyBPYZKCSYKGPBAY-UHFFFAOYSA-N
XLogP0.32
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612957
4-hydroxy-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954409
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)methyl]-2-methylpyrimidine-4,6-diol
CID 805568
4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
CID 22943314
2-cyclopropyl-4-hydroxy-5-[3-(methylamino)propyl]-1H-pyrimidin-6-one
CID 57713872
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613803
5-Cyclopropyl-6-hydroxy-2-methyl-4(3H)-pyrimidinone
CID 66641237
4-hydroxy-2-methyl-5-piperidin-4-yl-1H-pyrimidin-6-one
CID 90956795
4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one
CID 143732743
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63554460) is 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CCCN)[nH]c1=O.
What is the InChIKey of 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is BPYZKCSYKGPBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-7-9(14)12-8(5-3-6-11)13-10(7)15/h2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).