4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine

C12H14ClN5O — CID 62870587

IUPAC4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccncc2)n1
InChIInChI=1S/C12H14ClN5O/c1-2-7-19-12-17-10(13)16-11(18-12)15-8-9-3-5-14-6-4-9/h3-6H,2,7-8H2,1H3,(H,15,16,17,18)
InChIKeyWYDAOZZJYPQJAL-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.32
Rot. Bonds6

About 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 62870587) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID62870587
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccncc2)n1
InChIInChI=1S/C12H14ClN5O/c1-2-7-19-12-17-10(13)16-11(18-12)15-8-9-3-5-14-6-4-9/h3-6H,2,7-8H2,1H3,(H,15,16,17,18)
InChIKeyWYDAOZZJYPQJAL-UHFFFAOYSA-N
XLogP2.32
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine 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-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194334
4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 55205368
4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864682
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
6-chloro-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773536
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine (CID 62870587) is 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCc2ccncc2)n1.
What is the InChIKey of 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WYDAOZZJYPQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-7-19-12-17-10(13)16-11(18-12)15-8-9-3-5-14-6-4-9/h3-6H,2,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).