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

C14H22N4S — CID 62182738

IUPAC2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN(C)CCC)nc2sccc12
InChIInChI=1S/C14H22N4S/c1-4-7-15-13-11-6-9-19-14(11)17-12(16-13)10-18(3)8-5-2/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,16,17)
InChIKeyFEIILLBDUMMCCA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.36
Rot. Bonds7

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

2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62182738) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62182738
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN(C)CCC)nc2sccc12
InChIInChI=1S/C14H22N4S/c1-4-7-15-13-11-6-9-19-14(11)17-12(16-13)10-18(3)8-5-2/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,16,17)
InChIKeyFEIILLBDUMMCCA-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
2-[methyl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
CID 62183982
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62207948
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 81074567
2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182196
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62182738) is 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CN(C)CCC)nc2sccc12.
What is the InChIKey of 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FEIILLBDUMMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-7-15-13-11-6-9-19-14(11)17-12(16-13)10-18(3)8-5-2/h6,9H,4-5,7-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 278.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62182738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).