2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile

C8H11N5 — CID 12605704

IUPAC2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)nc(N(C)C)c1C#N
InChIInChI=1S/C8H11N5/c1-5-6(4-9)7(13(2)3)12-8(10)11-5/h1-3H3,(H2,10,11,12)
InChIKeyZDYCHZZBGBCQTP-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.30
Rot. Bonds1

About 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile

2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile (PubChem CID 12605704) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile
PubChem CID12605704
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)nc(N(C)C)c1C#N
InChIInChI=1S/C8H11N5/c1-5-6(4-9)7(13(2)3)12-8(10)11-5/h1-3H3,(H2,10,11,12)
InChIKeyZDYCHZZBGBCQTP-UHFFFAOYSA-N
XLogP0.30
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile (CID 12605704) is 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile is Cc1nc(N)nc(N(C)C)c1C#N.
What is the InChIKey of 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is ZDYCHZZBGBCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-6(4-9)7(13(2)3)12-8(10)11-5/h1-3H3,(H2,10,11,12).
What are the key properties of 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile?
2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 12605704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).