6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C17H20ClN3 — CID 80974160

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H20ClN3/c1-10(2)12-6-8-14(9-7-12)19-16-11(3)15(18)20-17(21-16)13-4-5-13/h6-10,13H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyKALWRSJMDDDPTA-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.18
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 80974160) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID80974160
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H20ClN3/c1-10(2)12-6-8-14(9-7-12)19-16-11(3)15(18)20-17(21-16)13-4-5-13/h6-10,13H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyKALWRSJMDDDPTA-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 80973859
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974062
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979147

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 80974160) is 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1Nc1ccc(C(C)C)cc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is KALWRSJMDDDPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-10(2)12-6-8-14(9-7-12)19-16-11(3)15(18)20-17(21-16)13-4-5-13/h6-10,13H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80974160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).