2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 63236440

IUPAC2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(CN(C)Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C15H23N5S/c1-19-6-3-11(4-7-19)9-20(2)10-13-17-14(16)12-5-8-21-15(12)18-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyVHHRMWAVPQFADS-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.05
Rot. Bonds4

About 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63236440) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID63236440
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN1CCC(CN(C)Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C15H23N5S/c1-19-6-3-11(4-7-19)9-20(2)10-13-17-14(16)12-5-8-21-15(12)18-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyVHHRMWAVPQFADS-UHFFFAOYSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 63236440) is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CN1CCC(CN(C)Cc2nc(N)c3ccsc3n2)CC1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VHHRMWAVPQFADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-19-6-3-11(4-7-19)9-20(2)10-13-17-14(16)12-5-8-21-15(12)18-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63236440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).