[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine

C11H10ClN3 — CID 105475068

IUPAC[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
SMILESNCc1cncnc1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN3/c12-10-4-2-1-3-9(10)11-8(5-13)6-14-7-15-11/h1-4,6-7H,5,13H2
InChIKeyOETPDMRLPHIEDJ-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.26
Rot. Bonds2

About [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine

[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine (PubChem CID 105475068) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
PubChem CID105475068
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
SMILESNCc1cncnc1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN3/c12-10-4-2-1-3-9(10)11-8(5-13)6-14-7-15-11/h1-4,6-7H,5,13H2
InChIKeyOETPDMRLPHIEDJ-UHFFFAOYSA-N
XLogP2.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211188
5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
CID 130088704
(4-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 83697190
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
CID 82287035
[2-(2-chlorophenyl)-4-pyridinyl]methanamine
CID 83706166
4-(2-fluorophenyl)-5-pentylpyrimidine
CID 22392430
2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
4-(2-fluorophenyl)-5-hexylpyrimidine
CID 22392469
[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139636

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine (CID 105475068) is [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine is NCc1cncnc1-c1ccccc1Cl.
What is the InChIKey of [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine?
The InChIKey is OETPDMRLPHIEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-4-2-1-3-9(10)11-8(5-13)6-14-7-15-11/h1-4,6-7H,5,13H2.
What are the key properties of [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine?
[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine has a molecular weight of 219.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 105475068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).