(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine

C8H12ClN3 — CID 83851945

IUPAC(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCC(C)c1cc(CN)nc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)7-3-6(4-10)11-8(9)12-7/h3,5H,4,10H2,1-2H3
InChIKeyDUVRLQDOPDOLNU-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.71
Rot. Bonds2

About (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine

(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine (PubChem CID 83851945) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
PubChem CID83851945
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCC(C)c1cc(CN)nc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)7-3-6(4-10)11-8(9)12-7/h3,5H,4,10H2,1-2H3
InChIKeyDUVRLQDOPDOLNU-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine (CID 83851945) is (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine is CC(C)c1cc(CN)nc(Cl)n1.
What is the InChIKey of (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine?
The InChIKey is DUVRLQDOPDOLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5(2)7-3-6(4-10)11-8(9)12-7/h3,5H,4,10H2,1-2H3.
What are the key properties of (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine?
(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine has a molecular weight of 185.66 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 83851945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).