4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

C10H17ClN4O — CID 162403036

IUPAC4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C(C)C)C(C)C)n1
InChIInChI=1S/C10H17ClN4O/c1-6(2)15(7(3)4)9-12-8(11)13-10(14-9)16-5/h6-7H,1-5H3
InChIKeySWJMIMJQGYEOOZ-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.16
Rot. Bonds4

About 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 162403036) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID162403036
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C(C)C)C(C)C)n1
InChIInChI=1S/C10H17ClN4O/c1-6(2)15(7(3)4)9-12-8(11)13-10(14-9)16-5/h6-7H,1-5H3
InChIKeySWJMIMJQGYEOOZ-UHFFFAOYSA-N
XLogP2.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.16
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,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (CID 162403036) is 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C(C)C)C(C)C)n1.
What is the InChIKey of 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is SWJMIMJQGYEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-6(2)15(7(3)4)9-12-8(11)13-10(14-9)16-5/h6-7H,1-5H3.
What are the key properties of 4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 244.73 g/mol, XLogP of 2.16, 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,N-di(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162403036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).