4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile

C9H9N5 — CID 155559132

IUPAC4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile
SMILESC#CCN(C)c1ncc(C#N)c(N)n1
InChIInChI=1S/C9H9N5/c1-3-4-14(2)9-12-6-7(5-10)8(11)13-9/h1,6H,4H2,2H3,(H2,11,12,13)
InChIKeyZOPHGHXJLPUSNW-UHFFFAOYSA-N
MW187.21 g/mol
LogP-0.00
Rot. Bonds2

About 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile

4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile (PubChem CID 155559132) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile
PubChem CID155559132
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile
SMILESC#CCN(C)c1ncc(C#N)c(N)n1
InChIInChI=1S/C9H9N5/c1-3-4-14(2)9-12-6-7(5-10)8(11)13-9/h1,6H,4H2,2H3,(H2,11,12,13)
InChIKeyZOPHGHXJLPUSNW-UHFFFAOYSA-N
XLogP-0.00
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
CID 53407869
5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 130593710
4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
CID 2816412
4-amino-2-(prop-2-ynylamino)pyrimidine-5-carbonitrile
CID 155564399
2-amino-4-[methyl(prop-2-ynyl)amino]benzonitrile
CID 130935351
4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
CID 116734138
4-amino-2-butan-2-ylsulfanylpyrimidine-5-carbonitrile
CID 130650777
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
4-amino-2-(1-methylsulfonylethyl)pyrimidine-5-carbonitrile
CID 116633646
[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
CID 107372927
acetylene;4-aminopyrimidine-5-carbonitrile
CID 142135145

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile (CID 155559132) is 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile is C#CCN(C)c1ncc(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is ZOPHGHXJLPUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-3-4-14(2)9-12-6-7(5-10)8(11)13-9/h1,6H,4H2,2H3,(H2,11,12,13).
What are the key properties of 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile?
4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 187.21 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155559132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).