N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine

C18H26N4OS — CID 101442998

IUPACN-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCCCCC2)c2cc(CNCC3COC3)sc2n1
InChIInChI=1S/C18H26N4OS/c1-2-4-6-14(5-3-1)22-17-16-7-15(24-18(16)21-12-20-17)9-19-8-13-10-23-11-13/h7,12-14,19H,1-6,8-11H2,(H,20,21,22)
InChIKeyPINRXLBOKMIFRT-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.56
Rot. Bonds6

About N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine

N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 101442998) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID101442998
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCCCCC2)c2cc(CNCC3COC3)sc2n1
InChIInChI=1S/C18H26N4OS/c1-2-4-6-14(5-3-1)22-17-16-7-15(24-18(16)21-12-20-17)9-19-8-13-10-23-11-13/h7,12-14,19H,1-6,8-11H2,(H,20,21,22)
InChIKeyPINRXLBOKMIFRT-UHFFFAOYSA-N
XLogP3.56
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 101442998) is N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine is c1nc(NC2CCCCCC2)c2cc(CNCC3COC3)sc2n1.
What is the InChIKey of N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PINRXLBOKMIFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-2-4-6-14(5-3-1)22-17-16-7-15(24-18(16)21-12-20-17)9-19-8-13-10-23-11-13/h7,12-14,19H,1-6,8-11H2,(H,20,21,22).
What are the key properties of N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 346.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 101442998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).