4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine

C14H18N4 — CID 112559774

IUPAC4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-15-12-10-13(16-4-2)18-14(17-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyMPHXPKHHBOYAGF-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.01
Rot. Bonds5

About 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine

4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112559774) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112559774
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4/c1-3-15-12-10-13(16-4-2)18-14(17-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyMPHXPKHHBOYAGF-UHFFFAOYSA-N
XLogP3.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
Msx-122
CID 11687907
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
N-benzylpyrimidin-5-amine
CID 819920
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine (CID 112559774) is 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine is CCNc1cc(NCC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is MPHXPKHHBOYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-15-12-10-13(16-4-2)18-14(17-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112559774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).