(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol

C22H32N4O — CID 93225959

IUPAC(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1
InChIInChI=1S/C22H32N4O/c1-5-20(27)15-25-10-12-26(13-11-25)22-21(17(3)23-18(4)24-22)14-19-9-7-6-8-16(19)2/h6-9,20,27H,5,10-15H2,1-4H3/t20-/m1/s1
InChIKeyQRKCKUYFGIIFHC-HXUWFJFHSA-N
MW368.53 g/mol
LogP2.89
Rot. Bonds6

About (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol

(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol (PubChem CID 93225959) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
PubChem CID93225959
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1
InChIInChI=1S/C22H32N4O/c1-5-20(27)15-25-10-12-26(13-11-25)22-21(17(3)23-18(4)24-22)14-19-9-7-6-8-16(19)2/h6-9,20,27H,5,10-15H2,1-4H3/t20-/m1/s1
InChIKeyQRKCKUYFGIIFHC-HXUWFJFHSA-N
XLogP2.89
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]hexan-2-ol
CID 93225984
1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 46029519
(2S)-1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]pentan-2-ol
CID 93226406
(2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 93226140
(2R)-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 93226245
(2S)-1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 93226202
(2R)-1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
CID 93226210
(2R)-1-ethoxy-3-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 93226012
(2S)-1-[4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 93122033
1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 46029592
(2S)-1-butoxy-3-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 93226021
(2S)-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol
CID 93226005

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol (CID 93225959) is (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1.
What is the InChIKey of (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
The InChIKey is QRKCKUYFGIIFHC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-20(27)15-25-10-12-26(13-11-25)22-21(17(3)23-18(4)24-22)14-19-9-7-6-8-16(19)2/h6-9,20,27H,5,10-15H2,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
(2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol has a molecular weight of 368.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[2,6-dimethyl-5-[(2-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 93225959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).