6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

C14H20ClN5S — CID 80837356

IUPAC6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C14H20ClN5S/c1-4-7-16-13-17-12(15)18-14(19-13)20(3)10(2)9-11-6-5-8-21-11/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,17,18,19)
InChIKeyOJCBFHFTECHQRM-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.48
Rot. Bonds7

About 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80837356) has the molecular formula C14H20ClN5S and a molecular weight of 325.87 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80837356
Molecular FormulaC14H20ClN5S
Molecular Weight325.87 g/mol
Exact Mass325.11
IUPAC Name6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C14H20ClN5S/c1-4-7-16-13-17-12(15)18-14(19-13)20(3)10(2)9-11-6-5-8-21-11/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,17,18,19)
InChIKeyOJCBFHFTECHQRM-UHFFFAOYSA-N
XLogP3.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-methyl-4-N-propyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781480
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
6-ethoxy-2-N,4-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80836777
4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80836659
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849189
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488363
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490150

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80837356) is 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(C)C(C)Cc2cccs2)n1.
What is the InChIKey of 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OJCBFHFTECHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5S/c1-4-7-16-13-17-12(15)18-14(19-13)20(3)10(2)9-11-6-5-8-21-11/h5-6,8,10H,4,7,9H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 325.87 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80837356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).