4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine

C10H15ClN4O — CID 63860663

IUPAC4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)CC2CC2C)n1
InChIInChI=1S/C10H15ClN4O/c1-6-4-7(6)5-15(2)9-12-8(11)13-10(14-9)16-3/h6-7H,4-5H2,1-3H3
InChIKeyIPPQSBPTNHITPK-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.63
Rot. Bonds4

About 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 63860663) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
PubChem CID63860663
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)CC2CC2C)n1
InChIInChI=1S/C10H15ClN4O/c1-6-4-7(6)5-15(2)9-12-8(11)13-10(14-9)16-3/h6-7H,4-5H2,1-3H3
InChIKeyIPPQSBPTNHITPK-UHFFFAOYSA-N
XLogP1.63
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine (CID 63860663) is 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)CC2CC2C)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is IPPQSBPTNHITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-4-7(6)5-15(2)9-12-8(11)13-10(14-9)16-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63860663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).