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

C15H22N4S — CID 80987707

IUPAC5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(C)Cc2ccsc2)n1
InChIInChI=1S/C15H22N4S/c1-4-5-13-18-14(16)11(3)15(19-13)17-10(2)8-12-6-7-20-9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H3,16,17,18,19)
InChIKeyLBYLZRGNUMBPNM-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.42
Rot. Bonds6

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

5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80987707) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80987707
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(C)Cc2ccsc2)n1
InChIInChI=1S/C15H22N4S/c1-4-5-13-18-14(16)11(3)15(19-13)17-10(2)8-12-6-7-20-9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H3,16,17,18,19)
InChIKeyLBYLZRGNUMBPNM-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine
CID 97204672
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80987707) is 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NC(C)Cc2ccsc2)n1.
What is the InChIKey of 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is LBYLZRGNUMBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-5-13-18-14(16)11(3)15(19-13)17-10(2)8-12-6-7-20-9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine?
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80987707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).