2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine

C11H16N4 — CID 106231260

IUPAC2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
SMILESC#CC(CC)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C11H16N4/c1-5-9(6-2)13-10-7-8-12-11(14-10)15(3)4/h1,7-9H,6H2,2-4H3,(H,12,13,14)
InChIKeyWUYRNCIZPYOCGT-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.37
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine (PubChem CID 106231260) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
PubChem CID106231260
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
SMILESC#CC(CC)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C11H16N4/c1-5-9(6-2)13-10-7-8-12-11(14-10)15(3)4/h1,7-9H,6H2,2-4H3,(H,12,13,14)
InChIKeyWUYRNCIZPYOCGT-UHFFFAOYSA-N
XLogP1.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine (CID 106231260) is 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine is C#CC(CC)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine?
The InChIKey is WUYRNCIZPYOCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-9(6-2)13-10-7-8-12-11(14-10)15(3)4/h1,7-9H,6H2,2-4H3,(H,12,13,14).
What are the key properties of 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 106231260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).