4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

C13H18N4S — CID 80854631

IUPAC4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCc2sccc2C)n1
InChIInChI=1S/C13H18N4S/c1-3-6-14-13-15-7-4-12(17-13)16-9-11-10(2)5-8-18-11/h4-5,7-8H,3,6,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyDXDVDGHHOLPASX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.28
Rot. Bonds6

About 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80854631) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80854631
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCc2sccc2C)n1
InChIInChI=1S/C13H18N4S/c1-3-6-14-13-15-7-4-12(17-13)16-9-11-10(2)5-8-18-11/h4-5,7-8H,3,6,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyDXDVDGHHOLPASX-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
4-N-[(4-methylthiophen-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80855068
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80854981
4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
CID 102838569
4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
N-[(3-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372644
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80854631) is 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCc2sccc2C)n1.
What is the InChIKey of 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is DXDVDGHHOLPASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-6-14-13-15-7-4-12(17-13)16-9-11-10(2)5-8-18-11/h4-5,7-8H,3,6,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80854631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).