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

C16H21FN4 — CID 80776961

IUPAC4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)Cc2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C16H21FN4/c1-11(2)14-15(18-3)19-10-20-16(14)21(4)9-12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19,20)
InChIKeyBJCOFTYRAKIXHK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.42
Rot. Bonds5

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

4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80776961) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80776961
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)Cc2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C16H21FN4/c1-11(2)14-15(18-3)19-10-20-16(14)21(4)9-12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19,20)
InChIKeyBJCOFTYRAKIXHK-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dimethyl-5-propan-2-yl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787539
5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 107207555
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
N-methyl-3-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 106918543
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274
6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-5-fluoro-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 166976341
4-N-(furan-2-ylmethyl)-4-N-methyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80774779
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849992

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80776961) is 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(N(C)Cc2ccc(F)cc2)c1C(C)C.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BJCOFTYRAKIXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-11(2)14-15(18-3)19-10-20-16(14)21(4)9-12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-4-N,6-N-dimethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80776961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).