2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 62184127

IUPAC2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN(CCC)C2CC2)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-3-8-17-15-13-7-10-21-16(13)19-14(18-15)11-20(9-4-2)12-5-6-12/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyAMAFBXWOIJJKGJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds8

About 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184127) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62184127
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN(CCC)C2CC2)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-3-8-17-15-13-7-10-21-16(13)19-14(18-15)11-20(9-4-2)12-5-6-12/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyAMAFBXWOIJJKGJ-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62208735
2-[cyclopropyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62208644
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 102870575
2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62207948
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 114133090
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103987757
2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
CID 62183982
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62184127) is 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CN(CCC)C2CC2)nc2sccc12.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AMAFBXWOIJJKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-8-17-15-13-7-10-21-16(13)19-14(18-15)11-20(9-4-2)12-5-6-12/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).