2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride

C8H14ClN5O — CID 130857894

IUPAC2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1cncnc1N.Cl
InChIInChI=1S/C8H13N5O.ClH/c1-5(9)8(14)12-3-6-2-11-4-13-7(6)10;/h2,4-5H,3,9H2,1H3,(H,12,14)(H2,10,11,13);1H
InChIKeyQQLKRCSJONLWDM-UHFFFAOYSA-N
MW231.69 g/mol
LogP-0.56
Rot. Bonds3

About 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride

2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride (PubChem CID 130857894) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride
PubChem CID130857894
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1cncnc1N.Cl
InChIInChI=1S/C8H13N5O.ClH/c1-5(9)8(14)12-3-6-2-11-4-13-7(6)10;/h2,4-5H,3,9H2,1H3,(H,12,14)(H2,10,11,13);1H
InChIKeyQQLKRCSJONLWDM-UHFFFAOYSA-N
XLogP-0.56
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride (CID 130857894) is 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride is CC(N)C(=O)NCc1cncnc1N.Cl.
What is the InChIKey of 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride?
The InChIKey is QQLKRCSJONLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O.ClH/c1-5(9)8(14)12-3-6-2-11-4-13-7(6)10;/h2,4-5H,3,9H2,1H3,(H,12,14)(H2,10,11,13);1H.
What are the key properties of 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride?
2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride has a molecular weight of 231.69 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 130857894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).