2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C14H20ClN3S — CID 114268199

IUPAC2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCN(c1nc(Cl)nc2c1SCC2)C1CCCCCC1
InChIInChI=1S/C14H20ClN3S/c1-18(10-6-4-2-3-5-7-10)13-12-11(8-9-19-12)16-14(15)17-13/h10H,2-9H2,1H3
InChIKeySDRQIWKOCZRUCF-UHFFFAOYSA-N
MW297.86 g/mol
LogP3.94
Rot. Bonds2

About 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 114268199) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID114268199
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCN(c1nc(Cl)nc2c1SCC2)C1CCCCCC1
InChIInChI=1S/C14H20ClN3S/c1-18(10-6-4-2-3-5-7-10)13-12-11(8-9-19-12)16-14(15)17-13/h10H,2-9H2,1H3
InChIKeySDRQIWKOCZRUCF-UHFFFAOYSA-N
XLogP3.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 114268199) is 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CN(c1nc(Cl)nc2c1SCC2)C1CCCCCC1.
What is the InChIKey of 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SDRQIWKOCZRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-18(10-6-4-2-3-5-7-10)13-12-11(8-9-19-12)16-14(15)17-13/h10H,2-9H2,1H3.
What are the key properties of 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.86 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114268199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).