2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine

C14H18ClN3S — CID 103321967

IUPAC2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CCCCCC1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C14H18ClN3S/c1-9-5-3-2-4-6-11(9)16-12-10-7-8-19-13(10)18-14(15)17-12/h7-9,11H,2-6H2,1H3,(H,16,17,18)
InChIKeyZTRMWZVEYRHXLZ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.73
Rot. Bonds2

About 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321967) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321967
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CCCCCC1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C14H18ClN3S/c1-9-5-3-2-4-6-11(9)16-12-10-7-8-19-13(10)18-14(15)17-12/h7-9,11H,2-6H2,1H3,(H,16,17,18)
InChIKeyZTRMWZVEYRHXLZ-UHFFFAOYSA-N
XLogP4.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328619
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321352
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709
2-chloro-N-(2-methylcyclohexyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82066247
2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403347
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 114133090
5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80847184
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321967) is 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine is CC1CCCCCC1Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZTRMWZVEYRHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9-5-3-2-4-6-11(9)16-12-10-7-8-19-13(10)18-14(15)17-12/h7-9,11H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).