2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C12H15ClN6S — CID 80834981

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccc(Cl)s2)nc(N2CCCC2)n1
InChIInChI=1S/C12H15ClN6S/c13-9-4-3-8(20-9)7-15-11-16-10(14)17-12(18-11)19-5-1-2-6-19/h3-4H,1-2,5-7H2,(H3,14,15,16,17,18)
InChIKeySCEWUVOPFCNVCX-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.38
Rot. Bonds4

About 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80834981) has the molecular formula C12H15ClN6S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80834981
Molecular FormulaC12H15ClN6S
Molecular Weight310.81 g/mol
Exact Mass310.08
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccc(Cl)s2)nc(N2CCCC2)n1
InChIInChI=1S/C12H15ClN6S/c13-9-4-3-8(20-9)7-15-11-16-10(14)17-12(18-11)19-5-1-2-6-19/h3-4H,1-2,5-7H2,(H3,14,15,16,17,18)
InChIKeySCEWUVOPFCNVCX-UHFFFAOYSA-N
XLogP2.38
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772845
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106042703
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411701
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865334
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80834981) is 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccc(Cl)s2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SCEWUVOPFCNVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6S/c13-9-4-3-8(20-9)7-15-11-16-10(14)17-12(18-11)19-5-1-2-6-19/h3-4H,1-2,5-7H2,(H3,14,15,16,17,18).
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 310.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80834981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).