N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine

C11H11N3S — CID 103578173

IUPACN-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESC#CC(CC)Nc1ncnc2ccsc12
InChIInChI=1S/C11H11N3S/c1-3-8(4-2)14-11-10-9(5-6-15-10)12-7-13-11/h1,5-8H,4H2,2H3,(H,12,13,14)
InChIKeyQQYGUFPVHLSAHJ-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.52
Rot. Bonds3

About N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine

N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 103578173) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID103578173
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC NameN-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESC#CC(CC)Nc1ncnc2ccsc12
InChIInChI=1S/C11H11N3S/c1-3-8(4-2)14-11-10-9(5-6-15-10)12-7-13-11/h1,5-8H,4H2,2H3,(H,12,13,14)
InChIKeyQQYGUFPVHLSAHJ-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103853810
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
CID 103704438
4-(pent-1-yn-3-ylamino)quinazoline-7-carboxylic acid
CID 106230991
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
CID 95578449
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine (CID 103578173) is N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine is C#CC(CC)Nc1ncnc2ccsc12.
What is the InChIKey of N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QQYGUFPVHLSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-3-8(4-2)14-11-10-9(5-6-15-10)12-7-13-11/h1,5-8H,4H2,2H3,(H,12,13,14).
What are the key properties of N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine?
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 217.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 103578173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).