1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one

C10H14ClN5O — CID 134123243

IUPAC1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one
SMILESCCCNc1nc(Cl)nc(N2CCCC2=O)n1
InChIInChI=1S/C10H14ClN5O/c1-2-5-12-9-13-8(11)14-10(15-9)16-6-3-4-7(16)17/h2-6H2,1H3,(H,12,13,14,15)
InChIKeyBPHOJNDKWWNKLN-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.47
Rot. Bonds4

About 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one

1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one (PubChem CID 134123243) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one
PubChem CID134123243
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one
SMILESCCCNc1nc(Cl)nc(N2CCCC2=O)n1
InChIInChI=1S/C10H14ClN5O/c1-2-5-12-9-13-8(11)14-10(15-9)16-6-3-4-7(16)17/h2-6H2,1H3,(H,12,13,14,15)
InChIKeyBPHOJNDKWWNKLN-UHFFFAOYSA-N
XLogP1.47
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835002
4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
CID 80850816
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 80784909
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835290
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322432

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one (CID 134123243) is 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one is CCCNc1nc(Cl)nc(N2CCCC2=O)n1.
What is the InChIKey of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one?
The InChIKey is BPHOJNDKWWNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-2-5-12-9-13-8(11)14-10(15-9)16-6-3-4-7(16)17/h2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one?
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one has a molecular weight of 255.71 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134123243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).