2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine

C23H33BrN4 — CID 10026532

IUPAC2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C23H33BrN4/c1-6-12-27(15-18-8-9-18)22-13-17(5)25-23(26-22)28(7-2)21-11-10-19(16(3)4)14-20(21)24/h10-11,13-14,16,18H,6-9,12,15H2,1-5H3
InChIKeyBPYWAEYELHNMCD-UHFFFAOYSA-N
MW445.45 g/mol
LogP6.46
Rot. Bonds9

About 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine

2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 10026532) has the molecular formula C23H33BrN4 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID10026532
Molecular FormulaC23H33BrN4
Molecular Weight445.45 g/mol
Exact Mass444.19
IUPAC Name2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C23H33BrN4/c1-6-12-27(15-18-8-9-18)22-13-17(5)25-23(26-22)28(7-2)21-11-10-19(16(3)4)14-20(21)24/h10-11,13-14,16,18H,6-9,12,15H2,1-5H3
InChIKeyBPYWAEYELHNMCD-UHFFFAOYSA-N
XLogP6.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.45
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[9-(2-Bromo-4-isopropyl-phenyl)-2,8-dimethyl-9H-purin-6-yl]-butyl-ethyl-amine
CID 10694584
3-(2-Bromo-4-isopropyl-phenyl)-7-(butyl-ethyl-amino)-5-methyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
CID 9805117
3-(2-Bromo-4-isopropyl-phenyl)-7-diethylamino-5-methyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
CID 9868427
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylpyrimidin-2-amine
CID 9892513
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidin-2-yl]-amine
CID 9912938
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-nitro-phenyl)-pyrimidin-2-yl]-amine
CID 10095518
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-[1,3,5]triazin-2-yl]-amine
CID 10367821
(2-Bromo-4-tert-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10498852
(2-Bromo-4-isopropyl-phenyl)-ethyl-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)-amine
CID 10549990
(2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10616689
2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 10621342
(2-Bromo-4-ethyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10663467

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine (CID 10026532) is 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine is CCCN(CC1CC1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is BPYWAEYELHNMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33BrN4/c1-6-12-27(15-18-8-9-18)22-13-17(5)25-23(26-22)28(7-2)21-11-10-19(16(3)4)14-20(21)24/h10-11,13-14,16,18H,6-9,12,15H2,1-5H3.
What are the key properties of 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine?
2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 445.45 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 10026532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).