N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H17N3S — CID 80638067

IUPACN-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCS2)nc2c1CCC2
InChIInChI=1S/C12H17N3S/c1-13-11-8-4-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h10H,2-7H2,1H3,(H,13,14,15)
InChIKeyAAUDVJANALBCTR-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.58
Rot. Bonds2

About N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 80638067) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID80638067
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCS2)nc2c1CCC2
InChIInChI=1S/C12H17N3S/c1-13-11-8-4-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h10H,2-7H2,1H3,(H,13,14,15)
InChIKeyAAUDVJANALBCTR-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103346619
N-methyl-2-(thian-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 80630916
2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472091
5-bromo-N-methyl-6-propan-2-yl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636691
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65405029
[2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62385407
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
4-methyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423151
4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742641
[2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 82839401

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 80638067) is N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(C2CCCS2)nc2c1CCC2.
What is the InChIKey of N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is AAUDVJANALBCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-13-11-8-4-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 235.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 80638067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).