4-chloro-N-(1-phenylethyl)pyrimidin-2-amine

C12H12ClN3 — CID 18375668

IUPAC4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(Cl)n1)c1ccccc1
InChIInChI=1S/C12H12ClN3/c1-9(10-5-3-2-4-6-10)15-12-14-8-7-11(13)16-12/h2-9H,1H3,(H,14,15,16)
InChIKeyDDEUEAYOTPLDPU-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.30
Rot. Bonds3

About 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine

4-chloro-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 18375668) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID18375668
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(Cl)n1)c1ccccc1
InChIInChI=1S/C12H12ClN3/c1-9(10-5-3-2-4-6-10)15-12-14-8-7-11(13)16-12/h2-9H,1H3,(H,14,15,16)
InChIKeyDDEUEAYOTPLDPU-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 141420637
4-N-[(2-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890674
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890739
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890680
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine (CID 18375668) is 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(Cl)n1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is DDEUEAYOTPLDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9(10-5-3-2-4-6-10)15-12-14-8-7-11(13)16-12/h2-9H,1H3,(H,14,15,16).
What are the key properties of 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine?
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 18375668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).