N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C22H23FN4O — CID 119067183

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(C2CCOC2)cc(N(Cc2ccncc2)Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-16-25-21(19-8-11-28-15-19)12-22(26-16)27(14-18-6-9-24-10-7-18)13-17-2-4-20(23)5-3-17/h2-7,9-10,12,19H,8,11,13-15H2,1H3
InChIKeyYWPOFCFBZCWRFT-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 119067183) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID119067183
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(C2CCOC2)cc(N(Cc2ccncc2)Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-16-25-21(19-8-11-28-15-19)12-22(26-16)27(14-18-6-9-24-10-7-18)13-17-2-4-20(23)5-3-17/h2-7,9-10,12,19H,8,11,13-15H2,1H3
InChIKeyYWPOFCFBZCWRFT-UHFFFAOYSA-N
XLogP4.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 119067183) is N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is Cc1nc(C2CCOC2)cc(N(Cc2ccncc2)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YWPOFCFBZCWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-16-25-21(19-8-11-28-15-19)12-22(26-16)27(14-18-6-9-24-10-7-18)13-17-2-4-20(23)5-3-17/h2-7,9-10,12,19H,8,11,13-15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 378.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 119067183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).