N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C19H26N4O3S — CID 86921687

IUPACN-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCN(C4CC4)CC3)sc2n1
InChIInChI=1S/C19H26N4O3S/c1-11-15-18(26-3)21-14(10-25-2)22-19(15)27-16(11)17(24)20-12-6-8-23(9-7-12)13-4-5-13/h12-13H,4-10H2,1-3H3,(H,20,24)
InChIKeyHVJOASNZLGWEAP-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.51
Rot. Bonds6

About N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 86921687) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID86921687
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3CCN(C4CC4)CC3)sc2n1
InChIInChI=1S/C19H26N4O3S/c1-11-15-18(26-3)21-14(10-25-2)22-19(15)27-16(11)17(24)20-12-6-8-23(9-7-12)13-4-5-13/h12-13H,4-10H2,1-3H3,(H,20,24)
InChIKeyHVJOASNZLGWEAP-UHFFFAOYSA-N
XLogP2.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 86921687) is N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NC3CCN(C4CC4)CC3)sc2n1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HVJOASNZLGWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-11-15-18(26-3)21-14(10-25-2)22-19(15)27-16(11)17(24)20-12-6-8-23(9-7-12)13-4-5-13/h12-13H,4-10H2,1-3H3,(H,20,24).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 86921687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).