4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C12H17N5S — CID 112750428

IUPAC4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2nc(N)nc3ccsc23)CC1
InChIInChI=1S/C12H17N5S/c1-17-5-2-8(3-6-17)14-11-10-9(4-7-18-10)15-12(13)16-11/h4,7-8H,2-3,5-6H2,1H3,(H3,13,14,15,16)
InChIKeyULWDSTINEQLDFM-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.78
Rot. Bonds2

About 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 112750428) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID112750428
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2nc(N)nc3ccsc23)CC1
InChIInChI=1S/C12H17N5S/c1-17-5-2-8(3-6-17)14-11-10-9(4-7-18-10)15-12(13)16-11/h4,7-8H,2-3,5-6H2,1H3,(H3,13,14,15,16)
InChIKeyULWDSTINEQLDFM-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256416
4-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 156905925
4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
CID 80780371
4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 158611356
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 112750276
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine
CID 158342872
1-[4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470516
[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 158089389
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 121402886

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 112750428) is 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CN1CCC(Nc2nc(N)nc3ccsc23)CC1.
What is the InChIKey of 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is ULWDSTINEQLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-17-5-2-8(3-6-17)14-11-10-9(4-7-18-10)15-12(13)16-11/h4,7-8H,2-3,5-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 112750428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).