N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine

C15H21N3OS — CID 47052614

IUPACN-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine
SMILESCc1nc(C)c2c(C)c(CNC3CCOCC3)sc2n1
InChIInChI=1S/C15H21N3OS/c1-9-13(8-16-12-4-6-19-7-5-12)20-15-14(9)10(2)17-11(3)18-15/h12,16H,4-8H2,1-3H3
InChIKeyMHDVPJNGAYSNRB-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds3

About N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine

N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine (PubChem CID 47052614) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine
PubChem CID47052614
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine
SMILESCc1nc(C)c2c(C)c(CNC3CCOCC3)sc2n1
InChIInChI=1S/C15H21N3OS/c1-9-13(8-16-12-4-6-19-7-5-12)20-15-14(9)10(2)17-11(3)18-15/h12,16H,4-8H2,1-3H3
InChIKeyMHDVPJNGAYSNRB-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine (CID 47052614) is N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine is Cc1nc(C)c2c(C)c(CNC3CCOCC3)sc2n1.
What is the InChIKey of N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine?
The InChIKey is MHDVPJNGAYSNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9-13(8-16-12-4-6-19-7-5-12)20-15-14(9)10(2)17-11(3)18-15/h12,16H,4-8H2,1-3H3.
What are the key properties of N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine?
N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methyl]oxan-4-amine is sourced from PubChem (CID 47052614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).