4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride

C8H13Cl2N3O — CID 137209899

IUPAC4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C8H11N3O.2ClH/c9-4-6-3-7(12)11-8(10-6)5-1-2-5;;/h3,5H,1-2,4,9H2,(H,10,11,12);2*1H
InChIKeyBQWAQTCVYLTXBT-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.95
Rot. Bonds2

About 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride

4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137209899) has the molecular formula C8H13Cl2N3O and a molecular weight of 238.12 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137209899
Molecular FormulaC8H13Cl2N3O
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C8H11N3O.2ClH/c9-4-6-3-7(12)11-8(10-6)5-1-2-5;;/h3,5H,1-2,4,9H2,(H,10,11,12);2*1H
InChIKeyBQWAQTCVYLTXBT-UHFFFAOYSA-N
XLogP0.95
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride (CID 137209899) is 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.NCc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is BQWAQTCVYLTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.2ClH/c9-4-6-3-7(12)11-8(10-6)5-1-2-5;;/h3,5H,1-2,4,9H2,(H,10,11,12);2*1H.
What are the key properties of 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride?
4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 238.12 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137209899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).