2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol

C19H27N5O2 — CID 95844665

IUPAC2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol
SMILESCc1cccc(Nc2cc(C[C@@H]3CCCN(C(CO)CO)C3)ncn2)n1
InChIInChI=1S/C19H27N5O2/c1-14-4-2-6-18(22-14)23-19-9-16(20-13-21-19)8-15-5-3-7-24(10-15)17(11-25)12-26/h2,4,6,9,13,15,17,25-26H,3,5,7-8,10-12H2,1H3,(H,20,21,22,23)/t15-/m0/s1
InChIKeyLOSZQCRLZWNGNE-HNNXBMFYSA-N
MW357.46 g/mol
LogP1.53
Rot. Bonds7

About 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol

2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol (PubChem CID 95844665) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol
PubChem CID95844665
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol
SMILESCc1cccc(Nc2cc(C[C@@H]3CCCN(C(CO)CO)C3)ncn2)n1
InChIInChI=1S/C19H27N5O2/c1-14-4-2-6-18(22-14)23-19-9-16(20-13-21-19)8-15-5-3-7-24(10-15)17(11-25)12-26/h2,4,6,9,13,15,17,25-26H,3,5,7-8,10-12H2,1H3,(H,20,21,22,23)/t15-/m0/s1
InChIKeyLOSZQCRLZWNGNE-HNNXBMFYSA-N
XLogP1.53
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641
N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
CID 95843766
N-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95821882
(E)-3-(2-methyl-1,3-thiazol-4-yl)-1-[3-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132766568
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 110269085
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132764396
(E)-1-[3-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 132766505
N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110258979
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 124940637

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol (CID 95844665) is 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol is Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(CO)CO)C3)ncn2)n1.
What is the InChIKey of 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol?
The InChIKey is LOSZQCRLZWNGNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-4-2-6-18(22-14)23-19-9-16(20-13-21-19)8-15-5-3-7-24(10-15)17(11-25)12-26/h2,4,6,9,13,15,17,25-26H,3,5,7-8,10-12H2,1H3,(H,20,21,22,23)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol?
2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 357.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 95844665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).