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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Related Compounds

2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829275
2-N-pent-1-yn-3-ylpyridine-2,4-diamine
CID 106233105
6-chloro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106232727
4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 83187042
5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231323
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830676
2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106232773
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 64829483
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
CID 132969306

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).