4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

C9H15ClN4O — CID 62868201

IUPAC4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C9H15ClN4O/c1-4-5-11-8-12-7(10)13-9(14-8)15-6(2)3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyUGQIHDDDOJZBNE-UHFFFAOYSA-N
MW230.70 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 62868201) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID62868201
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C9H15ClN4O/c1-4-5-11-8-12-7(10)13-9(14-8)15-6(2)3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyUGQIHDDDOJZBNE-UHFFFAOYSA-N
XLogP2.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-propyl-
CID 2173744
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306
Ammiline
CID 186157
s-Triazine, 2,4-bis(ethylamino)-6-isopropoxy-
CID 3057068
Mesoprazine
CID 3032414
4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 2056051
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-dipropyl-
CID 4185109
{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1878758
4-chloro-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 20857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 62868201) is 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is UGQIHDDDOJZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-4-5-11-8-12-7(10)13-9(14-8)15-6(2)3/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 230.70 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).