4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine

C12H16N4S — CID 80804482

IUPAC4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)C(C)c1cccs1
InChIInChI=1S/C12H16N4S/c1-8-7-14-12(13)15-11(8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3,(H2,13,14,15)
InChIKeySLNFDMHIUPTWFR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.63
Rot. Bonds3

About 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine

4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80804482) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID80804482
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)C(C)c1cccs1
InChIInChI=1S/C12H16N4S/c1-8-7-14-12(13)15-11(8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3,(H2,13,14,15)
InChIKeySLNFDMHIUPTWFR-UHFFFAOYSA-N
XLogP2.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79072473
2-hydrazinyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80904270
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 104506605
2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 112746053
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613
2-chloro-5-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79081658
3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114055989
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534
6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80972540
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine (CID 80804482) is 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine is Cc1cnc(N)nc1N(C)C(C)c1cccs1.
What is the InChIKey of 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is SLNFDMHIUPTWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-7-14-12(13)15-11(8)16(3)9(2)10-5-4-6-17-10/h4-7,9H,1-3H3,(H2,13,14,15).
What are the key properties of 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine?
4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80804482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).