4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C10H15ClN4O — CID 63956305

IUPAC4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCN(CC1CC1)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H15ClN4O/c1-3-15(6-7-4-5-7)9-12-8(11)13-10(14-9)16-2/h7H,3-6H2,1-2H3
InChIKeyUQJXPMQEZDCHDX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.77
Rot. Bonds5

About 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 63956305) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID63956305
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCN(CC1CC1)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H15ClN4O/c1-3-15(6-7-4-5-7)9-12-8(11)13-10(14-9)16-2/h7H,3-6H2,1-2H3
InChIKeyUQJXPMQEZDCHDX-UHFFFAOYSA-N
XLogP1.77
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
CID 79720046
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620160
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 107403037
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107400373
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007
4-chloro-N,N-diethyl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 63504788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 63956305) is 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCN(CC1CC1)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is UQJXPMQEZDCHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-3-15(6-7-4-5-7)9-12-8(11)13-10(14-9)16-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63956305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).