5-(4-methylpent-1-ynyl)pyrimidin-2-amine

C10H13N3 — CID 171507275

IUPAC5-(4-methylpent-1-ynyl)pyrimidin-2-amine
SMILESCC(C)CC#Cc1cnc(N)nc1
InChIInChI=1S/C10H13N3/c1-8(2)4-3-5-9-6-12-10(11)13-7-9/h6-8H,4H2,1-2H3,(H2,11,12,13)
InChIKeyOHJRNBJZDZGMMI-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.46
Rot. Bonds1

About 5-(4-methylpent-1-ynyl)pyrimidin-2-amine

5-(4-methylpent-1-ynyl)pyrimidin-2-amine (PubChem CID 171507275) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-(4-methylpent-1-ynyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methylpent-1-ynyl)pyrimidin-2-amine
PubChem CID171507275
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5-(4-methylpent-1-ynyl)pyrimidin-2-amine
SMILESCC(C)CC#Cc1cnc(N)nc1
InChIInChI=1S/C10H13N3/c1-8(2)4-3-5-9-6-12-10(11)13-7-9/h6-8H,4H2,1-2H3,(H2,11,12,13)
InChIKeyOHJRNBJZDZGMMI-UHFFFAOYSA-N
XLogP1.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpent-1-ynyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-methylpent-1-ynyl)pyrimidin-2-amine (CID 171507275) is 5-(4-methylpent-1-ynyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methylpent-1-ynyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-methylpent-1-ynyl)pyrimidin-2-amine is CC(C)CC#Cc1cnc(N)nc1.
What is the InChIKey of 5-(4-methylpent-1-ynyl)pyrimidin-2-amine?
The InChIKey is OHJRNBJZDZGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)4-3-5-9-6-12-10(11)13-7-9/h6-8H,4H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-(4-methylpent-1-ynyl)pyrimidin-2-amine?
5-(4-methylpent-1-ynyl)pyrimidin-2-amine has a molecular weight of 175.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpent-1-ynyl)pyrimidin-2-amine is sourced from PubChem (CID 171507275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).