[2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C24H26FN5O2 — CID 20959916

IUPAC[2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2C)CC1
InChIInChI=1S/C24H26FN5O2/c1-17-19(16-27-24(28-17)26-15-18-7-3-4-8-20(18)25)23(31)30-13-11-29(12-14-30)21-9-5-6-10-22(21)32-2/h3-10,16H,11-15H2,1-2H3,(H,26,27,28)
InChIKeyCDNNLZULMAWQQZ-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.51
Rot. Bonds6

About [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 20959916) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID20959916
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name[2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2C)CC1
InChIInChI=1S/C24H26FN5O2/c1-17-19(16-27-24(28-17)26-15-18-7-3-4-8-20(18)25)23(31)30-13-11-29(12-14-30)21-9-5-6-10-22(21)32-2/h3-10,16H,11-15H2,1-2H3,(H,26,27,28)
InChIKeyCDNNLZULMAWQQZ-UHFFFAOYSA-N
XLogP3.51
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 20959916) is [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2C)CC1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CDNNLZULMAWQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-17-19(16-27-24(28-17)26-15-18-7-3-4-8-20(18)25)23(31)30-13-11-29(12-14-30)21-9-5-6-10-22(21)32-2/h3-10,16H,11-15H2,1-2H3,(H,26,27,28).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 435.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-4-methylpyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20959916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).