N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H17N3S — CID 107413822

IUPACN-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CCC(CNc2ncnc3sccc23)C1
InChIInChI=1S/C13H17N3S/c1-9-2-3-10(6-9)7-14-12-11-4-5-17-13(11)16-8-15-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15,16)
InChIKeyWUKGBWQRRQCHTD-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.54
Rot. Bonds3

About N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 107413822) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID107413822
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CCC(CNc2ncnc3sccc23)C1
InChIInChI=1S/C13H17N3S/c1-9-2-3-10(6-9)7-14-12-11-4-5-17-13(11)16-8-15-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15,16)
InChIKeyWUKGBWQRRQCHTD-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126916741
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 65029513
5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414024
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-(1,4-oxazepan-6-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 154924411
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 107413822) is N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CC1CCC(CNc2ncnc3sccc23)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WUKGBWQRRQCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-2-3-10(6-9)7-14-12-11-4-5-17-13(11)16-8-15-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15,16).
What are the key properties of N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107413822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).