2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C20H22FN5 — CID 112917625

IUPAC2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2ccncc2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5/c1-15-13-19(26(2)12-9-16-7-10-22-11-8-16)25-20(24-15)23-14-17-3-5-18(21)6-4-17/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,23,24,25)
InChIKeyXGKSRCWBINICGU-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.61
Rot. Bonds7

About 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112917625) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112917625
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2ccncc2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5/c1-15-13-19(26(2)12-9-16-7-10-22-11-8-16)25-20(24-15)23-14-17-3-5-18(21)6-4-17/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,23,24,25)
InChIKeyXGKSRCWBINICGU-UHFFFAOYSA-N
XLogP3.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112917348
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112912785
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112859168
N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 102536508
5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112948390
2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112917625) is 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(N(C)CCc2ccncc2)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is XGKSRCWBINICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-15-13-19(26(2)12-9-16-7-10-22-11-8-16)25-20(24-15)23-14-17-3-5-18(21)6-4-17/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 351.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112917625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).