2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine

C22H34N4 — CID 25131213

IUPAC2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(C)CN(C)c1cc(CCc2ccccc2)nc(N(C)CC(C)C)n1
InChIInChI=1S/C22H34N4/c1-17(2)15-25(5)21-14-20(13-12-19-10-8-7-9-11-19)23-22(24-21)26(6)16-18(3)4/h7-11,14,17-18H,12-13,15-16H2,1-6H3
InChIKeyIPPOHVJQMVGOOX-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.45
Rot. Bonds9

About 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine

2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 25131213) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID25131213
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(C)CN(C)c1cc(CCc2ccccc2)nc(N(C)CC(C)C)n1
InChIInChI=1S/C22H34N4/c1-17(2)15-25(5)21-14-20(13-12-19-10-8-7-9-11-19)23-22(24-21)26(6)16-18(3)4/h7-11,14,17-18H,12-13,15-16H2,1-6H3
InChIKeyIPPOHVJQMVGOOX-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine (CID 25131213) is 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine is CC(C)CN(C)c1cc(CCc2ccccc2)nc(N(C)CC(C)C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is IPPOHVJQMVGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-17(2)15-25(5)21-14-20(13-12-19-10-8-7-9-11-19)23-22(24-21)26(6)16-18(3)4/h7-11,14,17-18H,12-13,15-16H2,1-6H3.
What are the key properties of 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 354.54 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25131213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).