2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol

C19H27N5O — CID 133486542

IUPAC2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(C)(C)O)CC2C)nc(-c2cccnc2)n1
InChIInChI=1S/C19H27N5O/c1-14-10-17(22-18(21-14)16-6-5-7-20-11-16)24-9-8-23(12-15(24)2)13-19(3,4)25/h5-7,10-11,15,25H,8-9,12-13H2,1-4H3
InChIKeyLDJQOXVQMSQSEP-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol

2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486542) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486542
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(C)(C)O)CC2C)nc(-c2cccnc2)n1
InChIInChI=1S/C19H27N5O/c1-14-10-17(22-18(21-14)16-6-5-7-20-11-16)24-9-8-23(12-15(24)2)13-19(3,4)25/h5-7,10-11,15,25H,8-9,12-13H2,1-4H3
InChIKeyLDJQOXVQMSQSEP-UHFFFAOYSA-N
XLogP2.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 133497431
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170265
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352780
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 133486542) is 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol is Cc1cc(N2CCN(CC(C)(C)O)CC2C)nc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is LDJQOXVQMSQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-10-17(22-18(21-14)16-6-5-7-20-11-16)24-9-8-23(12-15(24)2)13-19(3,4)25/h5-7,10-11,15,25H,8-9,12-13H2,1-4H3.
What are the key properties of 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 341.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).