2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C14H19N3OS — CID 103987757

IUPAC2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CC2CCOC2)nc2sccc12
InChIInChI=1S/C14H19N3OS/c1-2-5-15-13-11-4-7-19-14(11)17-12(16-13)8-10-3-6-18-9-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,16,17)
InChIKeyBMMOANRWSHMCGZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.09
Rot. Bonds5

About 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103987757) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103987757
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CC2CCOC2)nc2sccc12
InChIInChI=1S/C14H19N3OS/c1-2-5-15-13-11-4-7-19-14(11)17-12(16-13)8-10-3-6-18-9-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,16,17)
InChIKeyBMMOANRWSHMCGZ-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362270
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 106495744
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733
2-(oxolan-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103987783
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246364
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 62208702
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 103987757) is 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CC2CCOC2)nc2sccc12.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BMMOANRWSHMCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-5-15-13-11-4-7-19-14(11)17-12(16-13)8-10-3-6-18-9-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,15,16,17).
What are the key properties of 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103987757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).