4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

C16H21FN4 — CID 80980852

IUPAC4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccccc2F)n1
InChIInChI=1S/C16H21FN4/c1-4-7-14-20-15(18-3)11(2)16(21-14)19-10-12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyQDISVLJRKGHDIS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.53
Rot. Bonds6

About 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80980852) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80980852
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCc2ccccc2F)n1
InChIInChI=1S/C16H21FN4/c1-4-7-14-20-15(18-3)11(2)16(21-14)19-10-12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyQDISVLJRKGHDIS-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982049
4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
6-N,5-dimethyl-4-N-(1,2-oxazol-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 81173364
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106378740
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80979589

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (CID 80980852) is 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NCc2ccccc2F)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is QDISVLJRKGHDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-7-14-20-15(18-3)11(2)16(21-14)19-10-12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).