4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4S — CID 103328065

IUPAC4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(CC1CC1)Nc1nc(NC)nc2sccc12
InChIInChI=1S/C14H20N4S/c1-3-10(8-9-4-5-9)16-12-11-6-7-19-13(11)18-14(15-2)17-12/h6-7,9-10H,3-5,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyDMPFGWMZGJUEOS-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.72
Rot. Bonds6

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

4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328065) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328065
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(CC1CC1)Nc1nc(NC)nc2sccc12
InChIInChI=1S/C14H20N4S/c1-3-10(8-9-4-5-9)16-12-11-6-7-19-13(11)18-14(15-2)17-12/h6-7,9-10H,3-5,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyDMPFGWMZGJUEOS-UHFFFAOYSA-N
XLogP3.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
N-(1-cyclopropylpropan-2-yl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333826
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326180
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
3-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137981
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328065) is 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCC(CC1CC1)Nc1nc(NC)nc2sccc12.
What is the InChIKey of 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DMPFGWMZGJUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-10(8-9-4-5-9)16-12-11-6-7-19-13(11)18-14(15-2)17-12/h6-7,9-10H,3-5,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).