5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine

C14H16ClN3 — CID 79557000

IUPAC5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
SMILESCC(C)(CNc1ncc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H16ClN3/c1-14(2,11-6-4-3-5-7-11)10-18-13-16-8-12(15)9-17-13/h3-9H,10H2,1-2H3,(H,16,17,18)
InChIKeyCQOQBBMIICBPIL-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.52
Rot. Bonds4

About 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine

5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine (PubChem CID 79557000) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
PubChem CID79557000
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
SMILESCC(C)(CNc1ncc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H16ClN3/c1-14(2,11-6-4-3-5-7-11)10-18-13-16-8-12(15)9-17-13/h3-9H,10H2,1-2H3,(H,16,17,18)
InChIKeyCQOQBBMIICBPIL-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
CID 114156465
5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
CID 133349967
3-chloro-N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 54886580
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
(2S)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 99719031
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275612
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
CID 106193197

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine (CID 79557000) is 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine is CC(C)(CNc1ncc(Cl)cn1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine?
The InChIKey is CQOQBBMIICBPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-14(2,11-6-4-3-5-7-11)10-18-13-16-8-12(15)9-17-13/h3-9H,10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine?
5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 79557000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).