4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C19H22N8OS — CID 155131368

IUPAC4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCn1cc(Nc2nc(-c3cnn(C4(CN)CCOCC4)c3)c3sccc3n2)cn1
InChIInChI=1S/C19H22N8OS/c1-26-11-14(9-21-26)23-18-24-15-2-7-29-17(15)16(25-18)13-8-22-27(10-13)19(12-20)3-5-28-6-4-19/h2,7-11H,3-6,12,20H2,1H3,(H,23,24,25)
InChIKeyXQJAWGBZLNCKAB-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.50
Rot. Bonds5

About 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 155131368) has the molecular formula C19H22N8OS and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID155131368
Molecular FormulaC19H22N8OS
Molecular Weight410.51 g/mol
Exact Mass410.16
IUPAC Name4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCn1cc(Nc2nc(-c3cnn(C4(CN)CCOCC4)c3)c3sccc3n2)cn1
InChIInChI=1S/C19H22N8OS/c1-26-11-14(9-21-26)23-18-24-15-2-7-29-17(15)16(25-18)13-8-22-27(10-13)19(12-20)3-5-28-6-4-19/h2,7-11H,3-6,12,20H2,1H3,(H,23,24,25)
InChIKeyXQJAWGBZLNCKAB-UHFFFAOYSA-N
XLogP2.50
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 155131368) is 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is Cn1cc(Nc2nc(-c3cnn(C4(CN)CCOCC4)c3)c3sccc3n2)cn1.
What is the InChIKey of 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is XQJAWGBZLNCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8OS/c1-26-11-14(9-21-26)23-18-24-15-2-7-29-17(15)16(25-18)13-8-22-27(10-13)19(12-20)3-5-28-6-4-19/h2,7-11H,3-6,12,20H2,1H3,(H,23,24,25).
What are the key properties of 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 410.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(aminomethyl)oxan-4-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 155131368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).