6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C18H26FN5 — CID 112870537

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCCN(C)C)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C18H26FN5/c1-14-22-17(20-10-6-12-24(2)3)13-18(23-14)21-11-9-15-7-4-5-8-16(15)19/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyPZSIDQVINXUIEF-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds9

About 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112870537) has the molecular formula C18H26FN5 and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112870537
Molecular FormulaC18H26FN5
Molecular Weight331.44 g/mol
Exact Mass331.22
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCCN(C)C)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C18H26FN5/c1-14-22-17(20-10-6-12-24(2)3)13-18(23-14)21-11-9-15-7-4-5-8-16(15)19/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyPZSIDQVINXUIEF-UHFFFAOYSA-N
XLogP2.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873954
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873963
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
N-[2-(dimethylamino)ethyl]-6-[2-(2-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366189
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112870537) is 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCCN(C)C)cc(NCCc2ccccc2F)n1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is PZSIDQVINXUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5/c1-14-22-17(20-10-6-12-24(2)3)13-18(23-14)21-11-9-15-7-4-5-8-16(15)19/h4-5,7-8,13H,6,9-12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 331.44 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).