N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C23H24N6OS — CID 75457555

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCc2nnc(C3CC3)n2C2CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H24N6OS/c1-30-12-18-25-21(20-17(13-31-23(20)26-18)14-5-3-2-4-6-14)24-11-19-27-28-22(15-7-8-15)29(19)16-9-10-16/h2-6,13,15-16H,7-12H2,1H3,(H,24,25,26)
InChIKeyRFFVOTVWOCSUJF-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.92
Rot. Bonds8

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 75457555) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID75457555
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCc1nc(NCc2nnc(C3CC3)n2C2CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H24N6OS/c1-30-12-18-25-21(20-17(13-31-23(20)26-18)14-5-3-2-4-6-14)24-11-19-27-28-22(15-7-8-15)29(19)16-9-10-16/h2-6,13,15-16H,7-12H2,1H3,(H,24,25,26)
InChIKeyRFFVOTVWOCSUJF-UHFFFAOYSA-N
XLogP4.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 75457555) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCc1nc(NCc2nnc(C3CC3)n2C2CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RFFVOTVWOCSUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-30-12-18-25-21(20-17(13-31-23(20)26-18)14-5-3-2-4-6-14)24-11-19-27-28-22(15-7-8-15)29(19)16-9-10-16/h2-6,13,15-16H,7-12H2,1H3,(H,24,25,26).
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 432.55 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).