6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C11H14N4S — CID 80774342

IUPAC6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cccs2)c1C
InChIInChI=1S/C11H14N4S/c1-8-10(12-2)14-7-15-11(8)13-6-9-4-3-5-16-9/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyIOYBXOYFVQJNSA-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.50
Rot. Bonds4

About 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80774342) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80774342
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2cccs2)c1C
InChIInChI=1S/C11H14N4S/c1-8-10(12-2)14-7-15-11(8)13-6-9-4-3-5-16-9/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyIOYBXOYFVQJNSA-UHFFFAOYSA-N
XLogP2.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
5-nitro-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80771549
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
N-tert-butyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26357864
N,N-diethyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56918848
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623816
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazol-2-amine
CID 130735490

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80774342) is 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CNc1ncnc(NCc2cccs2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IOYBXOYFVQJNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-10(12-2)14-7-15-11(8)13-6-9-4-3-5-16-9/h3-5,7H,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80774342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).