1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride

C8H12ClN3 — CID 122164407

IUPAC1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride
SMILESCc1nccc(C2(N)CC2)n1.Cl
InChIInChI=1S/C8H11N3.ClH/c1-6-10-5-2-7(11-6)8(9)3-4-8;/h2,5H,3-4,9H2,1H3;1H
InChIKeyMRPOXSGQBWDNMR-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.15
Rot. Bonds1

About 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride

1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride (PubChem CID 122164407) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride
PubChem CID122164407
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride
SMILESCc1nccc(C2(N)CC2)n1.Cl
InChIInChI=1S/C8H11N3.ClH/c1-6-10-5-2-7(11-6)8(9)3-4-8;/h2,5H,3-4,9H2,1H3;1H
InChIKeyMRPOXSGQBWDNMR-UHFFFAOYSA-N
XLogP1.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride (CID 122164407) is 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride is Cc1nccc(C2(N)CC2)n1.Cl.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride?
The InChIKey is MRPOXSGQBWDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c1-6-10-5-2-7(11-6)8(9)3-4-8;/h2,5H,3-4,9H2,1H3;1H.
What are the key properties of 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride?
1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 122164407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).