5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 104592544

IUPAC5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCC(C)c1ccccc1
InChIInChI=1S/C17H24N4/c1-11(2)16-20-15(18)13(4)17(21-16)19-10-12(3)14-8-6-5-7-9-14/h5-9,11-12H,10H2,1-4H3,(H3,18,19,20,21)
InChIKeyCWLPHURQPXVKTO-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.71
Rot. Bonds5

About 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 104592544) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID104592544
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCC(C)c1ccccc1
InChIInChI=1S/C17H24N4/c1-11(2)16-20-15(18)13(4)17(21-16)19-10-12(3)14-8-6-5-7-9-14/h5-9,11-12H,10H2,1-4H3,(H3,18,19,20,21)
InChIKeyCWLPHURQPXVKTO-UHFFFAOYSA-N
XLogP3.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591315
5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985117
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 104592544) is 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NCC(C)c1ccccc1.
What is the InChIKey of 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is CWLPHURQPXVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11(2)16-20-15(18)13(4)17(21-16)19-10-12(3)14-8-6-5-7-9-14/h5-9,11-12H,10H2,1-4H3,(H3,18,19,20,21).
What are the key properties of 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 104592544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).