N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine

C11H16N4S — CID 62663575

IUPACN'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ncnc2ccsc12
InChIInChI=1S/C11H16N4S/c1-8(2)12-4-5-13-11-10-9(3-6-16-10)14-7-15-11/h3,6-8,12H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyADPJSYIFJCTYPY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.10
Rot. Bonds5

About N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine

N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 62663575) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID62663575
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ncnc2ccsc12
InChIInChI=1S/C11H16N4S/c1-8(2)12-4-5-13-11-10-9(3-6-16-10)14-7-15-11/h3,6-8,12H,4-5H2,1-2H3,(H,13,14,15)
InChIKeyADPJSYIFJCTYPY-UHFFFAOYSA-N
XLogP2.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 54943655
N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675352
3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 66108387
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
CID 104577253
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
CID 103704438
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine (CID 62663575) is N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine is CC(C)NCCNc1ncnc2ccsc12.
What is the InChIKey of N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is ADPJSYIFJCTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)12-4-5-13-11-10-9(3-6-16-10)14-7-15-11/h3,6-8,12H,4-5H2,1-2H3,(H,13,14,15).
What are the key properties of N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62663575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).