2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine

C13H20ClN5O — CID 62862691

IUPAC2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H20ClN5O/c1-9(2)20-13-16-11(14)15-12(17-13)19-7-5-18(6-8-19)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyCSKZFGDBHDDGNQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.60
Rot. Bonds4

About 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62862691) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62862691
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H20ClN5O/c1-9(2)20-13-16-11(14)15-12(17-13)19-7-5-18(6-8-19)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyCSKZFGDBHDDGNQ-UHFFFAOYSA-N
XLogP1.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 62862691) is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is CSKZFGDBHDDGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-9(2)20-13-16-11(14)15-12(17-13)19-7-5-18(6-8-19)10-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 297.79 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62862691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).