2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol

C14H18N4O — CID 86794201

IUPAC2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(-c2cccnc2)nc(NC(C)CO)c1C
InChIInChI=1S/C14H18N4O/c1-9(8-19)16-13-10(2)11(3)17-14(18-13)12-5-4-6-15-7-12/h4-7,9,19H,8H2,1-3H3,(H,16,17,18)
InChIKeyIRGJUGUDAQFTPT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds4

About 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol

2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 86794201) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID86794201
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(-c2cccnc2)nc(NC(C)CO)c1C
InChIInChI=1S/C14H18N4O/c1-9(8-19)16-13-10(2)11(3)17-14(18-13)12-5-4-6-15-7-12/h4-7,9,19H,8H2,1-3H3,(H,16,17,18)
InChIKeyIRGJUGUDAQFTPT-UHFFFAOYSA-N
XLogP1.95
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 133374542
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
4-chloro-N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133334322
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316513
N-[3-(methoxymethyl)phenyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133351038
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064846
N-(1,1-dioxothian-4-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 167967042
3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744216
N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133317332

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol (CID 86794201) is 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol is Cc1nc(-c2cccnc2)nc(NC(C)CO)c1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is IRGJUGUDAQFTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(8-19)16-13-10(2)11(3)17-14(18-13)12-5-4-6-15-7-12/h4-7,9,19H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 86794201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).