1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine

C28H32N8 — CID 143163967

IUPAC1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine
SMILESCCCc1cccc(C)c1.CNc1nc(C)cc(N(C)c2nc(-c3ccccc3)cc3ncnn23)n1
InChIInChI=1S/C18H18N8.C10H14/c1-12-9-16(24-17(19-2)22-12)25(3)18-23-14(13-7-5-4-6-8-13)10-15-20-11-21-26(15)18;1-3-5-10-7-4-6-9(2)8-10/h4-11H,1-3H3,(H,19,22,24);4,6-8H,3,5H2,1-2H3
InChIKeyBDQJXWOVLMNZDY-UHFFFAOYSA-N
MW480.62 g/mol
LogP5.65
Rot. Bonds6

About 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine

1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine (PubChem CID 143163967) has the molecular formula C28H32N8 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine
PubChem CID143163967
Molecular FormulaC28H32N8
Molecular Weight480.62 g/mol
Exact Mass480.27
IUPAC Name1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine
SMILESCCCc1cccc(C)c1.CNc1nc(C)cc(N(C)c2nc(-c3ccccc3)cc3ncnn23)n1
InChIInChI=1S/C18H18N8.C10H14/c1-12-9-16(24-17(19-2)22-12)25(3)18-23-14(13-7-5-4-6-8-13)10-15-20-11-21-26(15)18;1-3-5-10-7-4-6-9(2)8-10/h4-11H,1-3H3,(H,19,22,24);4,6-8H,3,5H2,1-2H3
InChIKeyBDQJXWOVLMNZDY-UHFFFAOYSA-N
XLogP5.65
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-methyl-2-N-[(2S)-1-phenylpropan-2-yl]-2-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine
CID 91268750
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54942729
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834
N-methyl-2-phenyl-6-propylquinolin-4-amine
CID 63481049
ethane;2-heptan-4-yl-4-methyl-6-phenylpyridine;1,3-xylene
CID 142466560
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
2,6-diphenyl-4-propylpyridine
CID 164669086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine (CID 143163967) is 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine is CCCc1cccc(C)c1.CNc1nc(C)cc(N(C)c2nc(-c3ccccc3)cc3ncnn23)n1.
What is the InChIKey of 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine?
The InChIKey is BDQJXWOVLMNZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8.C10H14/c1-12-9-16(24-17(19-2)22-12)25(3)18-23-14(13-7-5-4-6-8-13)10-15-20-11-21-26(15)18;1-3-5-10-7-4-6-9(2)8-10/h4-11H,1-3H3,(H,19,22,24);4,6-8H,3,5H2,1-2H3.
What are the key properties of 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine?
1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine has a molecular weight of 480.62 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylbenzene;2-N,4-N,6-trimethyl-4-N-(7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 143163967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).