[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol

C24H29FN6O — CID 110220837

IUPAC[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol
SMILESCc1cccnc1C(O)c1cccc(F)c1N1CCN(Cc2cnc(N(C)C)nc2)CC1
InChIInChI=1S/C24H29FN6O/c1-17-6-5-9-26-21(17)23(32)19-7-4-8-20(25)22(19)31-12-10-30(11-13-31)16-18-14-27-24(28-15-18)29(2)3/h4-9,14-15,23,32H,10-13,16H2,1-3H3
InChIKeyAJYSXBZEVVEAJQ-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.79
Rot. Bonds6

About [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol

[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol (PubChem CID 110220837) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol
PubChem CID110220837
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol
SMILESCc1cccnc1C(O)c1cccc(F)c1N1CCN(Cc2cnc(N(C)C)nc2)CC1
InChIInChI=1S/C24H29FN6O/c1-17-6-5-9-26-21(17)23(32)19-7-4-8-20(25)22(19)31-12-10-30(11-13-31)16-18-14-27-24(28-15-18)29(2)3/h4-9,14-15,23,32H,10-13,16H2,1-3H3
InChIKeyAJYSXBZEVVEAJQ-UHFFFAOYSA-N
XLogP2.79
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol?
The IUPAC name of [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol (CID 110220837) is [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol.
What is the SMILES notation for [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol?
The canonical SMILES for [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol is Cc1cccnc1C(O)c1cccc(F)c1N1CCN(Cc2cnc(N(C)C)nc2)CC1.
What is the InChIKey of [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol?
The InChIKey is AJYSXBZEVVEAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-17-6-5-9-26-21(17)23(32)19-7-4-8-20(25)22(19)31-12-10-30(11-13-31)16-18-14-27-24(28-15-18)29(2)3/h4-9,14-15,23,32H,10-13,16H2,1-3H3.
What are the key properties of [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol?
[2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol has a molecular weight of 436.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]-3-fluorophenyl]-(3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 110220837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).