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

C17H25N5 — CID 112913498

IUPAC4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NCCCN(C)C)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-14-13-16(18-11-8-12-21(2)3)20-17(19-14)22(4)15-9-6-5-7-10-15/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,18,19,20)
InChIKeyOBERFZNYQWKBBC-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.92
Rot. Bonds7

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

4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112913498) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112913498
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NCCCN(C)C)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-14-13-16(18-11-8-12-21(2)3)20-17(19-14)22(4)15-9-6-5-7-10-15/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,18,19,20)
InChIKeyOBERFZNYQWKBBC-UHFFFAOYSA-N
XLogP2.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.92
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

2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
CID 112925381
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
2-N,6-dimethyl-2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916665
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913469
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
4-N-[3-(dimethylamino)propyl]-2-N-(1,1-dioxothiolan-3-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112913456
4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112927646

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine (CID 112913498) is 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(NCCCN(C)C)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is OBERFZNYQWKBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-14-13-16(18-11-8-12-21(2)3)20-17(19-14)22(4)15-9-6-5-7-10-15/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112913498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).