4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine

C19H26N4S — CID 98323673

IUPAC4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
SMILESc1cc([C@@H]2CCCN(Cc3ccc(CN4CCCC4)s3)C2)ncn1
InChIInChI=1S/C19H26N4S/c1-2-10-22(9-1)13-17-5-6-18(24-17)14-23-11-3-4-16(12-23)19-7-8-20-15-21-19/h5-8,15-16H,1-4,9-14H2/t16-/m1/s1
InChIKeyPUYIZJXCRTZITQ-MRXNPFEDSA-N
MW342.51 g/mol
LogP3.51
Rot. Bonds5

About 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine

4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine (PubChem CID 98323673) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
PubChem CID98323673
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
SMILESc1cc([C@@H]2CCCN(Cc3ccc(CN4CCCC4)s3)C2)ncn1
InChIInChI=1S/C19H26N4S/c1-2-10-22(9-1)13-17-5-6-18(24-17)14-23-11-3-4-16(12-23)19-7-8-20-15-21-19/h5-8,15-16H,1-4,9-14H2/t16-/m1/s1
InChIKeyPUYIZJXCRTZITQ-MRXNPFEDSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine (CID 98323673) is 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine is c1cc([C@@H]2CCCN(Cc3ccc(CN4CCCC4)s3)C2)ncn1.
What is the InChIKey of 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine?
The InChIKey is PUYIZJXCRTZITQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4S/c1-2-10-22(9-1)13-17-5-6-18(24-17)14-23-11-3-4-16(12-23)19-7-8-20-15-21-19/h5-8,15-16H,1-4,9-14H2/t16-/m1/s1.
What are the key properties of 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine?
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine has a molecular weight of 342.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine is sourced from PubChem (CID 98323673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).