6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine

C15H18ClN3 — CID 63735623

IUPAC6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H18ClN3/c1-4-11-7-5-6-8-12(11)19-15-13(10(2)3)14(16)17-9-18-15/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyRRIHOBDVKLKGFR-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.56
Rot. Bonds4

About 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63735623) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID63735623
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H18ClN3/c1-4-11-7-5-6-8-12(11)19-15-13(10(2)3)14(16)17-9-18-15/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyRRIHOBDVKLKGFR-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 55230248
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 63734205
6-hydrazinyl-5-propan-2-yl-N-(2-propylphenyl)pyrimidin-4-amine
CID 80901927
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80783013
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N,6-N-bis(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482571
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
CID 55143311
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine (CID 63735623) is 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine is CCc1ccccc1Nc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is RRIHOBDVKLKGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-11-7-5-6-8-12(11)19-15-13(10(2)3)14(16)17-9-18-15/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63735623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).