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

C16H21N3O — CID 70010735

IUPAC3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol
SMILESCc1cc(C)c(N)c(Nc2ccc(CCCO)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11-10-12(2)18-16(15(11)17)19-14-7-5-13(6-8-14)4-3-9-20/h5-8,10,20H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyXNIJXXGOOPJVDM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds5

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

3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol (PubChem CID 70010735) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol
PubChem CID70010735
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol
SMILESCc1cc(C)c(N)c(Nc2ccc(CCCO)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11-10-12(2)18-16(15(11)17)19-14-7-5-13(6-8-14)4-3-9-20/h5-8,10,20H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyXNIJXXGOOPJVDM-UHFFFAOYSA-N
XLogP2.95
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol (CID 70010735) is 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol is Cc1cc(C)c(N)c(Nc2ccc(CCCO)cc2)n1.
What is the InChIKey of 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol?
The InChIKey is XNIJXXGOOPJVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-10-12(2)18-16(15(11)17)19-14-7-5-13(6-8-14)4-3-9-20/h5-8,10,20H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol?
3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 70010735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).