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

C20H22FN5 — CID 112861272

IUPAC6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccncc1)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C20H22FN5/c1-26(13-9-16-6-10-22-11-7-16)20-14-19(24-15-25-20)23-12-8-17-4-2-3-5-18(17)21/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,23,24,25)
InChIKeyHVLFCFWMSTWTAP-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.34
Rot. Bonds8

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

6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112861272) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112861272
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccncc1)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C20H22FN5/c1-26(13-9-16-6-10-22-11-7-16)20-14-19(24-15-25-20)23-12-8-17-4-2-3-5-18(17)21/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,23,24,25)
InChIKeyHVLFCFWMSTWTAP-UHFFFAOYSA-N
XLogP3.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
6-N-(2,6-diethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861838
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112859168
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112861914
2-N-[(2-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112917348
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
6-N-(4-methoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861859
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 112861272) is 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CN(CCc1ccncc1)c1cc(NCCc2ccccc2F)ncn1.
What is the InChIKey of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is HVLFCFWMSTWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-26(13-9-16-6-10-22-11-7-16)20-14-19(24-15-25-20)23-12-8-17-4-2-3-5-18(17)21/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H,23,24,25).
What are the key properties of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 351.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).