N-prop-2-ynylpyrimidin-2-amine

C7H7N3 — CID 15250441

IUPACN-prop-2-ynylpyrimidin-2-amine
SMILESC#CCNc1ncccn1
InChIInChI=1S/C7H7N3/c1-2-4-8-7-9-5-3-6-10-7/h1,3,5-6H,4H2,(H,8,9,10)
InChIKeyRVRJEKAFWDHMGP-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.52
Rot. Bonds2

About N-prop-2-ynylpyrimidin-2-amine

N-prop-2-ynylpyrimidin-2-amine (PubChem CID 15250441) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-prop-2-ynylpyrimidin-2-amine.

Molecular Properties

Compound NameN-prop-2-ynylpyrimidin-2-amine
PubChem CID15250441
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC NameN-prop-2-ynylpyrimidin-2-amine
SMILESC#CCNc1ncccn1
InChIInChI=1S/C7H7N3/c1-2-4-8-7-9-5-3-6-10-7/h1,3,5-6H,4H2,(H,8,9,10)
InChIKeyRVRJEKAFWDHMGP-UHFFFAOYSA-N
XLogP0.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 7978
CID 7978
CID 9260
CID 9260
CID 88747
CID 88747
CID 71169
CID 71169
CID 78345
CID 78345
CID 67431
CID 67431
CID 265776
CID 265776
CID 295763
CID 295763
CID 2757979
CID 2757979
CID 2818457
CID 2818457
CID 141643
CID 141643
CID 68958
CID 68958

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylpyrimidin-2-amine?
The IUPAC name of N-prop-2-ynylpyrimidin-2-amine (CID 15250441) is N-prop-2-ynylpyrimidin-2-amine.
What is the SMILES notation for N-prop-2-ynylpyrimidin-2-amine?
The canonical SMILES for N-prop-2-ynylpyrimidin-2-amine is C#CCNc1ncccn1.
What is the InChIKey of N-prop-2-ynylpyrimidin-2-amine?
The InChIKey is RVRJEKAFWDHMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-4-8-7-9-5-3-6-10-7/h1,3,5-6H,4H2,(H,8,9,10).
What are the key properties of N-prop-2-ynylpyrimidin-2-amine?
N-prop-2-ynylpyrimidin-2-amine has a molecular weight of 133.15 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylpyrimidin-2-amine is sourced from PubChem (CID 15250441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).