1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine

C10H12ClN3 — CID 84781059

IUPAC1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine
SMILESNC1(c2c(Cl)ncnc2C2CC2)CC1
InChIInChI=1S/C10H12ClN3/c11-9-7(10(12)3-4-10)8(6-1-2-6)13-5-14-9/h5-6H,1-4,12H2
InChIKeyCTIUGLRQKDIWQV-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine

1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine (PubChem CID 84781059) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine
PubChem CID84781059
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine
SMILESNC1(c2c(Cl)ncnc2C2CC2)CC1
InChIInChI=1S/C10H12ClN3/c11-9-7(10(12)3-4-10)8(6-1-2-6)13-5-14-9/h5-6H,1-4,12H2
InChIKeyCTIUGLRQKDIWQV-UHFFFAOYSA-N
XLogP1.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine (CID 84781059) is 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine is NC1(c2c(Cl)ncnc2C2CC2)CC1.
What is the InChIKey of 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine?
The InChIKey is CTIUGLRQKDIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-9-7(10(12)3-4-10)8(6-1-2-6)13-5-14-9/h5-6H,1-4,12H2.
What are the key properties of 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine?
1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine has a molecular weight of 209.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-cyclopropylpyrimidin-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84781059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).