(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol

C16H21N3O — CID 67099559

IUPAC(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol
SMILESCc1cc(C)c(N)c(Nc2ccc(C[C@H](C)O)cc2)n1
InChIInChI=1S/C16H21N3O/c1-10-8-11(2)18-16(15(10)17)19-14-6-4-13(5-7-14)9-12(3)20/h4-8,12,20H,9,17H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyJCGXUCRCYIIZOF-LBPRGKRZSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds4

About (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol

(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol (PubChem CID 67099559) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol
PubChem CID67099559
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol
SMILESCc1cc(C)c(N)c(Nc2ccc(C[C@H](C)O)cc2)n1
InChIInChI=1S/C16H21N3O/c1-10-8-11(2)18-16(15(10)17)19-14-6-4-13(5-7-14)9-12(3)20/h4-8,12,20H,9,17H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyJCGXUCRCYIIZOF-LBPRGKRZSA-N
XLogP2.95
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol (CID 67099559) is (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol is Cc1cc(C)c(N)c(Nc2ccc(C[C@H](C)O)cc2)n1.
What is the InChIKey of (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol?
The InChIKey is JCGXUCRCYIIZOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-8-11(2)18-16(15(10)17)19-14-6-4-13(5-7-14)9-12(3)20/h4-8,12,20H,9,17H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol?
(2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-2-ol is sourced from PubChem (CID 67099559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).