N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H18N4S — CID 107174233

IUPACN-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2sccc12)C1CCCNCC1
InChIInChI=1S/C13H18N4S/c1-17(10-3-2-6-14-7-4-10)12-11-5-8-18-13(11)16-9-15-12/h5,8-10,14H,2-4,6-7H2,1H3
InChIKeyBODRUKXXVPTOAV-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.27
Rot. Bonds2

About N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine

N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 107174233) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID107174233
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2sccc12)C1CCCNCC1
InChIInChI=1S/C13H18N4S/c1-17(10-3-2-6-14-7-4-10)12-11-5-8-18-13(11)16-9-15-12/h5,8-10,14H,2-4,6-7H2,1H3
InChIKeyBODRUKXXVPTOAV-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
N-(5-methoxy-2-pyridinyl)-N-methylazepan-4-amine
CID 107174074
2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 60840198
N-(6-methoxy-5-nitropyrimidin-4-yl)-N-methylazepan-4-amine
CID 107174257
N-(azepan-4-yl)-6-methoxy-N-methylisoquinolin-1-amine
CID 107174267
N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 71641479
N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 44632567
N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62587122
N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
CID 107174187

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 107174233) is N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(c1ncnc2sccc12)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BODRUKXXVPTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17(10-3-2-6-14-7-4-10)12-11-5-8-18-13(11)16-9-15-12/h5,8-10,14H,2-4,6-7H2,1H3.
What are the key properties of N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107174233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).