1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol

C15H15ClN4O — CID 110430705

IUPAC1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1cc2c(NCC(O)c3ccc(Cl)cc3)ncnc2[nH]1
InChIInChI=1S/C15H15ClN4O/c1-9-6-12-14(18-8-19-15(12)20-9)17-7-13(21)10-2-4-11(16)5-3-10/h2-6,8,13,21H,7H2,1H3,(H2,17,18,19,20)
InChIKeyPUAKUAPAJRKRRM-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol

1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 110430705) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID110430705
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1cc2c(NCC(O)c3ccc(Cl)cc3)ncnc2[nH]1
InChIInChI=1S/C15H15ClN4O/c1-9-6-12-14(18-8-19-15(12)20-9)17-7-13(21)10-2-4-11(16)5-3-10/h2-6,8,13,21H,7H2,1H3,(H2,17,18,19,20)
InChIKeyPUAKUAPAJRKRRM-UHFFFAOYSA-N
XLogP3.07
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 110430705) is 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1cc2c(NCC(O)c3ccc(Cl)cc3)ncnc2[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is PUAKUAPAJRKRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9-6-12-14(18-8-19-15(12)20-9)17-7-13(21)10-2-4-11(16)5-3-10/h2-6,8,13,21H,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol?
1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 302.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 110430705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).