2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine

C19H29N5 — CID 112936187

IUPAC2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(NCCCN(C)C)n1
InChIInChI=1S/C19H29N5/c1-5-24(6-2)18-15-17(16-11-8-7-9-12-16)21-19(22-18)20-13-10-14-23(3)4/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3,(H,20,21,22)
InChIKeyBIEIPQMUSLQQNV-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.35
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine

2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112936187) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112936187
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(NCCCN(C)C)n1
InChIInChI=1S/C19H29N5/c1-5-24(6-2)18-15-17(16-11-8-7-9-12-16)21-19(22-18)20-13-10-14-23(3)4/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3,(H,20,21,22)
InChIKeyBIEIPQMUSLQQNV-UHFFFAOYSA-N
XLogP3.35
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
2-N-[3-(dimethylamino)propyl]-4-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936165
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936116
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936163
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
2-N-[3-(dimethylamino)propyl]-4-N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidine-2,4-diamine
CID 124749031
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076
4-N-(1,3-benzodioxol-5-yl)-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936235
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937704

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (CID 112936187) is 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1cc(-c2ccccc2)nc(NCCCN(C)C)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is BIEIPQMUSLQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-5-24(6-2)18-15-17(16-11-8-7-9-12-16)21-19(22-18)20-13-10-14-23(3)4/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3,(H,20,21,22).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 327.48 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112936187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).