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

C15H23N5S — CID 63274778

IUPACN-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)CC2CCN(C)C2)nc2sccc12
InChIInChI=1S/C15H23N5S/c1-16-14-12-5-7-21-15(12)18-13(17-14)10-20(3)9-11-4-6-19(2)8-11/h5,7,11H,4,6,8-10H2,1-3H3,(H,16,17,18)
InChIKeyVMACFOCZFMPVOG-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.12
Rot. Bonds5

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

N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63274778) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID63274778
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)CC2CCN(C)C2)nc2sccc12
InChIInChI=1S/C15H23N5S/c1-16-14-12-5-7-21-15(12)18-13(17-14)10-20(3)9-11-4-6-19(2)8-11/h5,7,11H,4,6,8-10H2,1-3H3,(H,16,17,18)
InChIKeyVMACFOCZFMPVOG-UHFFFAOYSA-N
XLogP2.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 63274778) is N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN(C)CC2CCN(C)C2)nc2sccc12.
What is the InChIKey of N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VMACFOCZFMPVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-16-14-12-5-7-21-15(12)18-13(17-14)10-20(3)9-11-4-6-19(2)8-11/h5,7,11H,4,6,8-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63274778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).