3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile

C12H15N5S — CID 103326383

IUPAC3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
SMILESCc1cc2c(N(C)CC(C)C#N)nc(N)nc2s1
InChIInChI=1S/C12H15N5S/c1-7(5-13)6-17(3)10-9-4-8(2)18-11(9)16-12(14)15-10/h4,7H,6H2,1-3H3,(H2,14,15,16)
InChIKeyKBLZQODPZFLJEF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.18
Rot. Bonds3

About 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile

3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile (PubChem CID 103326383) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
PubChem CID103326383
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
SMILESCc1cc2c(N(C)CC(C)C#N)nc(N)nc2s1
InChIInChI=1S/C12H15N5S/c1-7(5-13)6-17(3)10-9-4-8(2)18-11(9)16-12(14)15-10/h4,7H,6H2,1-3H3,(H2,14,15,16)
InChIKeyKBLZQODPZFLJEF-UHFFFAOYSA-N
XLogP2.18
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 103326512
4-N,6-dimethyl-4-N-pentan-2-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325150
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 103330744
4-N-(2-methoxyethyl)-6-methyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326280
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103326548
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
3-[(5-aminopyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 79917514
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 114564590
2-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103326326
2-N-ethyl-4-N,6-dimethyl-4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325641

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile (CID 103326383) is 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile is Cc1cc2c(N(C)CC(C)C#N)nc(N)nc2s1.
What is the InChIKey of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
The InChIKey is KBLZQODPZFLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7(5-13)6-17(3)10-9-4-8(2)18-11(9)16-12(14)15-10/h4,7H,6H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile has a molecular weight of 261.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 103326383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).