2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine

C22H32N4 — CID 25130900

IUPAC2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine
SMILESCC(C)CN(C)c1cc(/C=C/c2ccccc2)nc(N(C)CC(C)C)n1
InChIInChI=1S/C22H32N4/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/h7-14,17-18H,15-16H2,1-6H3/b13-12+
InChIKeyVMAHMBCEBLBIKJ-OUKQBFOZSA-N
MW352.53 g/mol
LogP4.83
Rot. Bonds8

About 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine

2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine (PubChem CID 25130900) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine
PubChem CID25130900
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine
SMILESCC(C)CN(C)c1cc(/C=C/c2ccccc2)nc(N(C)CC(C)C)n1
InChIInChI=1S/C22H32N4/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/h7-14,17-18H,15-16H2,1-6H3/b13-12+
InChIKeyVMAHMBCEBLBIKJ-OUKQBFOZSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 54.83
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-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine (CID 25130900) is 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine is CC(C)CN(C)c1cc(/C=C/c2ccccc2)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-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine?
The InChIKey is VMAHMBCEBLBIKJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H32N4/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/h7-14,17-18H,15-16H2,1-6H3/b13-12+.
What are the key properties of 2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-2-N,4-N-bis(2-methylpropyl)-6-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine has a molecular weight of 352.53 g/mol, XLogP of 4.83, 8 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-[(E)-2-phenylethenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 25130900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).