2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 62184614

IUPAC2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCCCCC2)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-2-8-17-15-13-7-11-21-16(13)19-14(18-15)12-20-9-5-3-4-6-10-20/h7,11H,2-6,8-10,12H2,1H3,(H,17,18,19)
InChIKeyBHJVIDVIOWRFCC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds5

About 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184614) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62184614
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCCCCC2)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-2-8-17-15-13-7-11-21-16(13)19-14(18-15)12-20-9-5-3-4-6-10-20/h7,11H,2-6,8-10,12H2,1H3,(H,17,18,19)
InChIKeyBHJVIDVIOWRFCC-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63218023
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 62208702
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 62209192
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62974588

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62184614) is 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CN2CCCCCC2)nc2sccc12.
What is the InChIKey of 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BHJVIDVIOWRFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-2-8-17-15-13-7-11-21-16(13)19-14(18-15)12-20-9-5-3-4-6-10-20/h7,11H,2-6,8-10,12H2,1H3,(H,17,18,19).
What are the key properties of 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).