(3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone

C16H18ClN7OS — CID 154872627

IUPAC(3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(Nc2nc(Cl)nc3c2SCC3)CN1C(=O)c1nccnc1N
InChIInChI=1S/C16H18ClN7OS/c1-8-6-9(7-24(8)15(25)11-13(18)20-4-3-19-11)21-14-12-10(2-5-26-12)22-16(17)23-14/h3-4,8-9H,2,5-7H2,1H3,(H2,18,20)(H,21,22,23)
InChIKeyLFIINUHZNPUWAW-UHFFFAOYSA-N
MW391.89 g/mol
LogP1.87
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone (PubChem CID 154872627) has the molecular formula C16H18ClN7OS and a molecular weight of 391.89 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone
PubChem CID154872627
Molecular FormulaC16H18ClN7OS
Molecular Weight391.89 g/mol
Exact Mass391.10
IUPAC Name(3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(Nc2nc(Cl)nc3c2SCC3)CN1C(=O)c1nccnc1N
InChIInChI=1S/C16H18ClN7OS/c1-8-6-9(7-24(8)15(25)11-13(18)20-4-3-19-11)21-14-12-10(2-5-26-12)22-16(17)23-14/h3-4,8-9H,2,5-7H2,1H3,(H2,18,20)(H,21,22,23)
InChIKeyLFIINUHZNPUWAW-UHFFFAOYSA-N
XLogP1.87
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.89
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone (CID 154872627) is (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone is CC1CC(Nc2nc(Cl)nc3c2SCC3)CN1C(=O)c1nccnc1N.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is LFIINUHZNPUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7OS/c1-8-6-9(7-24(8)15(25)11-13(18)20-4-3-19-11)21-14-12-10(2-5-26-12)22-16(17)23-14/h3-4,8-9H,2,5-7H2,1H3,(H2,18,20)(H,21,22,23).
What are the key properties of (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 391.89 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 154872627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).