4-methyl-6-pent-1-ynylpyrimidin-2-amine

C10H13N3 — CID 135260385

IUPAC4-methyl-6-pent-1-ynylpyrimidin-2-amine
SMILESCCCC#Cc1cc(C)nc(N)n1
InChIInChI=1S/C10H13N3/c1-3-4-5-6-9-7-8(2)12-10(11)13-9/h7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyTXJDVYDXVZNANT-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.52
Rot. Bonds1

About 4-methyl-6-pent-1-ynylpyrimidin-2-amine

4-methyl-6-pent-1-ynylpyrimidin-2-amine (PubChem CID 135260385) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-methyl-6-pent-1-ynylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-pent-1-ynylpyrimidin-2-amine
PubChem CID135260385
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-methyl-6-pent-1-ynylpyrimidin-2-amine
SMILESCCCC#Cc1cc(C)nc(N)n1
InChIInChI=1S/C10H13N3/c1-3-4-5-6-9-7-8(2)12-10(11)13-9/h7H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyTXJDVYDXVZNANT-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pent-1-ynylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-pent-1-ynylpyrimidin-2-amine (CID 135260385) is 4-methyl-6-pent-1-ynylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-pent-1-ynylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-pent-1-ynylpyrimidin-2-amine is CCCC#Cc1cc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-pent-1-ynylpyrimidin-2-amine?
The InChIKey is TXJDVYDXVZNANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-4-5-6-9-7-8(2)12-10(11)13-9/h7H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-methyl-6-pent-1-ynylpyrimidin-2-amine?
4-methyl-6-pent-1-ynylpyrimidin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pent-1-ynylpyrimidin-2-amine is sourced from PubChem (CID 135260385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).