N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

C19H28N4OS — CID 11682007

IUPACN-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCCCCC2)c2cc(CNC[C@H]3CCCO3)sc2n1
InChIInChI=1S/C19H28N4OS/c1-2-4-7-14(6-3-1)23-18-17-10-16(25-19(17)22-13-21-18)12-20-11-15-8-5-9-24-15/h10,13-15,20H,1-9,11-12H2,(H,21,22,23)/t15-/m1/s1
InChIKeySASNRPJKZVJWQW-OAHLLOKOSA-N
MW360.53 g/mol
LogP4.09
Rot. Bonds6

About N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 11682007) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID11682007
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCCCCC2)c2cc(CNC[C@H]3CCCO3)sc2n1
InChIInChI=1S/C19H28N4OS/c1-2-4-7-14(6-3-1)23-18-17-10-16(25-19(17)22-13-21-18)12-20-11-15-8-5-9-24-15/h10,13-15,20H,1-9,11-12H2,(H,21,22,23)/t15-/m1/s1
InChIKeySASNRPJKZVJWQW-OAHLLOKOSA-N
XLogP4.09
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783159
2-({6-methylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
CID 6460757
2-((6-Ethylthieno[2,3-d]pyrimidin-4-yl)amino)ethanol
CID 648537
6-Benzyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71602914
N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16192855
1-[(6-Methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-propanol
CID 9549150
(6-Ethyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 651273
2-[2-({6-Phenylthieno[2,3-d]pyrimidin-4-yl}amino)ethoxy]ethan-1-ol
CID 1587997
N-[3-(morpholin-4-yl)propyl]-5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 2032709
(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 9549432
(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 9549588
N-(oxolan-2-ylmethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16315231

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 11682007) is N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is c1nc(NC2CCCCCC2)c2cc(CNC[C@H]3CCCO3)sc2n1.
What is the InChIKey of N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SASNRPJKZVJWQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-2-4-7-14(6-3-1)23-18-17-10-16(25-19(17)22-13-21-18)12-20-11-15-8-5-9-24-15/h10,13-15,20H,1-9,11-12H2,(H,21,22,23)/t15-/m1/s1.
What are the key properties of N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11682007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).