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

C18H25N5S — CID 72881692

IUPAC4-[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
SMILESCc1cc2c(N3CCC(N4C[C@@H]5CCN[C@@H]5C4)CC3)ncnc2s1
InChIInChI=1S/C18H25N5S/c1-12-8-15-17(20-11-21-18(15)24-12)22-6-3-14(4-7-22)23-9-13-2-5-19-16(13)10-23/h8,11,13-14,16,19H,2-7,9-10H2,1H3/t13-,16+/m0/s1
InChIKeyPXRITKKCVUMJIH-XJKSGUPXSA-N
MW343.50 g/mol
LogP2.26
Rot. Bonds2

About 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

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 (PubChem CID 72881692) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID72881692
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name4-[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
SMILESCc1cc2c(N3CCC(N4C[C@@H]5CCN[C@@H]5C4)CC3)ncnc2s1
InChIInChI=1S/C18H25N5S/c1-12-8-15-17(20-11-21-18(15)24-12)22-6-3-14(4-7-22)23-9-13-2-5-19-16(13)10-23/h8,11,13-14,16,19H,2-7,9-10H2,1H3/t13-,16+/m0/s1
InChIKeyPXRITKKCVUMJIH-XJKSGUPXSA-N
XLogP2.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
CID 115314651
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
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-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364736
4-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364840
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 133117838
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(N3CCC(N4C[C@@H]5CCN[C@@H]5C4)CC3)ncnc2s1.
What is the InChIKey of 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?
The InChIKey is PXRITKKCVUMJIH-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H25N5S/c1-12-8-15-17(20-11-21-18(15)24-12)22-6-3-14(4-7-22)23-9-13-2-5-19-16(13)10-23/h8,11,13-14,16,19H,2-7,9-10H2,1H3/t13-,16+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 343.50 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72881692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).