1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol

C21H23N5O — CID 166246042

IUPAC1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
SMILESCc1nc(CNc2nccc(N3Cc4ccccc4C3)n2)ccc1C(C)O
InChIInChI=1S/C21H23N5O/c1-14-19(15(2)27)8-7-18(24-14)11-23-21-22-10-9-20(25-21)26-12-16-5-3-4-6-17(16)13-26/h3-10,15,27H,11-13H2,1-2H3,(H,22,23,25)
InChIKeyUMJOXTNTXNRGTE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.37
Rot. Bonds5

About 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol

1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol (PubChem CID 166246042) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
PubChem CID166246042
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
SMILESCc1nc(CNc2nccc(N3Cc4ccccc4C3)n2)ccc1C(C)O
InChIInChI=1S/C21H23N5O/c1-14-19(15(2)27)8-7-18(24-14)11-23-21-22-10-9-20(25-21)26-12-16-5-3-4-6-17(16)13-26/h3-10,15,27H,11-13H2,1-2H3,(H,22,23,25)
InChIKeyUMJOXTNTXNRGTE-UHFFFAOYSA-N
XLogP3.37
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol with MolForge

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine
CID 167873937
N-[[4-(aminomethyl)phenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-amine
CID 167858926
4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine
CID 166376094
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 166376089
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
(1R)-1-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanol
CID 124502448
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-propylpyrimidin-2-amine
CID 80812071
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol (CID 166246042) is 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol is Cc1nc(CNc2nccc(N3Cc4ccccc4C3)n2)ccc1C(C)O.
What is the InChIKey of 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol?
The InChIKey is UMJOXTNTXNRGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-19(15(2)27)8-7-18(24-14)11-23-21-22-10-9-20(25-21)26-12-16-5-3-4-6-17(16)13-26/h3-10,15,27H,11-13H2,1-2H3,(H,22,23,25).
What are the key properties of 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol?
1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol has a molecular weight of 361.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol is sourced from PubChem (CID 166246042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).