6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine

C19H29N5 — CID 25130896

IUPAC6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1
InChIInChI=1S/C19H29N5/c1-14(2)11-20-17-10-18(21-13-16-8-6-5-7-9-16)24-19(23-17)22-12-15(3)4/h5-10,14-15H,11-13H2,1-4H3,(H3,20,21,22,23,24)
InChIKeyZOQDUFOUNDLFCC-UHFFFAOYSA-N
MW327.48 g/mol
LogP4.22
Rot. Bonds9

About 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine

6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 25130896) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID25130896
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1
InChIInChI=1S/C19H29N5/c1-14(2)11-20-17-10-18(21-13-16-8-6-5-7-9-16)24-19(23-17)22-12-15(3)4/h5-10,14-15H,11-13H2,1-4H3,(H3,20,21,22,23,24)
InChIKeyZOQDUFOUNDLFCC-UHFFFAOYSA-N
XLogP4.22
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 25130896) is 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine is CC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1.
What is the InChIKey of 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is ZOQDUFOUNDLFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14(2)11-20-17-10-18(21-13-16-8-6-5-7-9-16)24-19(23-17)22-12-15(3)4/h5-10,14-15H,11-13H2,1-4H3,(H3,20,21,22,23,24).
What are the key properties of 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine?
6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 327.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 25130896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).