N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine

C17H22ClN3 — CID 63733908

IUPACN-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H22ClN3/c1-5-6-14-15(18)19-11-20-16(14)21-13-9-7-12(8-10-13)17(2,3)4/h7-11H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyJVZPBUHUUMHVKS-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.12
Rot. Bonds4

About N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine

N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine (PubChem CID 63733908) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
PubChem CID63733908
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H22ClN3/c1-5-6-14-15(18)19-11-20-16(14)21-13-9-7-12(8-10-13)17(2,3)4/h7-11H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyJVZPBUHUUMHVKS-UHFFFAOYSA-N
XLogP5.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{4-[(4-Chlorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
CID 11221946
N-benzyl-6-chloropyrimidin-4-amine
CID 3771857
Lodinixil
CID 3045378
5-(4-{[(4-Chlorophenyl)amino]methyl}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11508639
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683
6-{2-[4-(Dimethylamino)phenyl]ethynyl}-5-phenylpyrimidin-4-amine
CID 23646786
6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine
CID 258602
N2-(4-chlorophenyl)-N4-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 488801
2,4-NH2Pyrimidin,5(4-dimeamino)benzyl
CID 13043080
N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 14347063
2,4-Diamino-5-[4-aminobenzyl]pyrimidine
CID 14999833
US12453731, Example 32
CID 141755765

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine (CID 63733908) is N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
The InChIKey is JVZPBUHUUMHVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-5-6-14-15(18)19-11-20-16(14)21-13-9-7-12(8-10-13)17(2,3)4/h7-11H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine?
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63733908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).