6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine

C14H16ClN3 — CID 113230295

IUPAC6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(C)c2ccccc2)n1
InChIInChI=1S/C14H16ClN3/c1-10(12-6-4-3-5-7-12)9-16-14-8-13(15)17-11(2)18-14/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyQIRTULOUVPNOIW-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.65
Rot. Bonds4

About 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine (PubChem CID 113230295) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
PubChem CID113230295
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(C)c2ccccc2)n1
InChIInChI=1S/C14H16ClN3/c1-10(12-6-4-3-5-7-12)9-16-14-8-13(15)17-11(2)18-14/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyQIRTULOUVPNOIW-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764320
1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 133282520
N-(2-phenylpropyl)quinolin-2-amine
CID 115569576
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813
6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591315
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80545491
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine (CID 113230295) is 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCC(C)c2ccccc2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine?
The InChIKey is QIRTULOUVPNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10(12-6-4-3-5-7-12)9-16-14-8-13(15)17-11(2)18-14/h3-8,10H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 113230295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).