4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine

C13H22ClN5O — CID 79720046

IUPAC4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(CC1CCNCC1)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C13H22ClN5O/c1-3-8-19(9-10-4-6-15-7-5-10)12-16-11(14)17-13(18-12)20-2/h10,15H,3-9H2,1-2H3
InChIKeyVTZHHAMWFLRILX-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.75
Rot. Bonds6

About 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 79720046) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID79720046
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(CC1CCNCC1)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C13H22ClN5O/c1-3-8-19(9-10-4-6-15-7-5-10)12-16-11(14)17-13(18-12)20-2/h10,15H,3-9H2,1-2H3
InChIKeyVTZHHAMWFLRILX-UHFFFAOYSA-N
XLogP1.75
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620160
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621436
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514
N-(piperidin-4-ylmethyl)-N,3-dipropyl-1,2,4-thiadiazol-5-amine
CID 79720120
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine (CID 79720046) is 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine is CCCN(CC1CCNCC1)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is VTZHHAMWFLRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-8-19(9-10-4-6-15-7-5-10)12-16-11(14)17-13(18-12)20-2/h10,15H,3-9H2,1-2H3.
What are the key properties of 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79720046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).