6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine

C19H28N4 — CID 112932852

IUPAC6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(-c2ccccc2)nc(NC(C)C)n1
InChIInChI=1S/C19H28N4/c1-5-12-23(13-6-2)18-14-17(16-10-8-7-9-11-16)21-19(22-18)20-15(3)4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,20,21,22)
InChIKeyVIMMXJPAELFMLG-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.59
Rot. Bonds8

About 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine

6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112932852) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112932852
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(-c2ccccc2)nc(NC(C)C)n1
InChIInChI=1S/C19H28N4/c1-5-12-23(13-6-2)18-14-17(16-10-8-7-9-11-16)21-19(22-18)20-15(3)4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,20,21,22)
InChIKeyVIMMXJPAELFMLG-UHFFFAOYSA-N
XLogP4.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112932852) is 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1cc(-c2ccccc2)nc(NC(C)C)n1.
What is the InChIKey of 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is VIMMXJPAELFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-12-23(13-6-2)18-14-17(16-10-8-7-9-11-16)21-19(22-18)20-15(3)4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,20,21,22).
What are the key properties of 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-N-propan-2-yl-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).