4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H15ClN6O — CID 62863628

IUPAC4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(CNc2nc(Cl)nc(N3CCCC3)n2)no1
InChIInChI=1S/C12H15ClN6O/c1-8-6-9(18-20-8)7-14-11-15-10(13)16-12(17-11)19-4-2-3-5-19/h6H,2-5,7H2,1H3,(H,14,15,16,17)
InChIKeyFFCDQFLUUDFHGS-UHFFFAOYSA-N
MW294.75 g/mol
LogP2.03
Rot. Bonds4

About 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62863628) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62863628
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(CNc2nc(Cl)nc(N3CCCC3)n2)no1
InChIInChI=1S/C12H15ClN6O/c1-8-6-9(18-20-8)7-14-11-15-10(13)16-12(17-11)19-4-2-3-5-19/h6H,2-5,7H2,1H3,(H,14,15,16,17)
InChIKeyFFCDQFLUUDFHGS-UHFFFAOYSA-N
XLogP2.03
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865334
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863803
4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63283548
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106375383
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62864878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62863628) is 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Cc1cc(CNc2nc(Cl)nc(N3CCCC3)n2)no1.
What is the InChIKey of 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FFCDQFLUUDFHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-8-6-9(18-20-8)7-14-11-15-10(13)16-12(17-11)19-4-2-3-5-19/h6H,2-5,7H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).