6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

C16H20ClN3 — CID 63729500

IUPAC6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC(C)CCc1ccccc1
InChIInChI=1S/C16H20ClN3/c1-3-14-15(17)18-11-19-16(14)20-12(2)9-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,18,19,20)
InChIKeyNTSXBTDOCMWRSC-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.13
Rot. Bonds6

About 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine (PubChem CID 63729500) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
PubChem CID63729500
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC(C)CCc1ccccc1
InChIInChI=1S/C16H20ClN3/c1-3-14-15(17)18-11-19-16(14)20-12(2)9-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,18,19,20)
InChIKeyNTSXBTDOCMWRSC-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 15916585

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine (CID 63729500) is 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NC(C)CCc1ccccc1.
What is the InChIKey of 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The InChIKey is NTSXBTDOCMWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-14-15(17)18-11-19-16(14)20-12(2)9-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63729500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).