2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C15H22N4OS — CID 63972968

IUPAC2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCC(COC)CC2)nc2sccc12
InChIInChI=1S/C15H22N4OS/c1-16-14-12-5-8-21-15(12)18-13(17-14)9-19-6-3-11(4-7-19)10-20-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyJJUXWZGWZKBLAF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.59
Rot. Bonds5

About 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63972968) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63972968
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCC(COC)CC2)nc2sccc12
InChIInChI=1S/C15H22N4OS/c1-16-14-12-5-8-21-15(12)18-13(17-14)9-19-6-3-11(4-7-19)10-20-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyJJUXWZGWZKBLAF-UHFFFAOYSA-N
XLogP2.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62209339
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 102966683
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 62178045
N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62974588
N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114539498
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63635807
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 63972968) is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN2CCC(COC)CC2)nc2sccc12.
What is the InChIKey of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JJUXWZGWZKBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-16-14-12-5-8-21-15(12)18-13(17-14)9-19-6-3-11(4-7-19)10-20-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63972968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).