4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine

C14H18N4S — CID 115314651

IUPAC4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCC4CCC(C3)N4)ncnc2s1
InChIInChI=1S/C14H18N4S/c1-9-6-12-13(15-8-16-14(12)19-9)18-5-4-10-2-3-11(7-18)17-10/h6,8,10-11,17H,2-5,7H2,1H3
InChIKeyNQTNFLHZSOQFBX-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.33
Rot. Bonds1

About 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine

4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 115314651) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID115314651
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCC4CCC(C3)N4)ncnc2s1
InChIInChI=1S/C14H18N4S/c1-9-6-12-13(15-8-16-14(12)19-9)18-5-4-10-2-3-11(7-18)17-10/h6,8,10-11,17H,2-5,7H2,1H3
InChIKeyNQTNFLHZSOQFBX-UHFFFAOYSA-N
XLogP2.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
4-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 72881692
(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 133117838
N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 63617713
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine (CID 115314651) is 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCC4CCC(C3)N4)ncnc2s1.
What is the InChIKey of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is NQTNFLHZSOQFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-6-12-13(15-8-16-14(12)19-9)18-5-4-10-2-3-11(7-18)17-10/h6,8,10-11,17H,2-5,7H2,1H3.
What are the key properties of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine?
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 274.39 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 115314651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).