2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile

C15H19N7 — CID 126840341

IUPAC2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile
SMILESCC(C#N)CN(C)c1ncc(C#N)c(N(C)CC(C)C#N)n1
InChIInChI=1S/C15H19N7/c1-11(5-16)9-21(3)14-13(7-18)8-19-15(20-14)22(4)10-12(2)6-17/h8,11-12H,9-10H2,1-4H3
InChIKeyHHFVEWCJRMPVRN-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.54
Rot. Bonds6

About 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile

2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile (PubChem CID 126840341) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile
PubChem CID126840341
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile
SMILESCC(C#N)CN(C)c1ncc(C#N)c(N(C)CC(C)C#N)n1
InChIInChI=1S/C15H19N7/c1-11(5-16)9-21(3)14-13(7-18)8-19-15(20-14)22(4)10-12(2)6-17/h8,11-12H,9-10H2,1-4H3
InChIKeyHHFVEWCJRMPVRN-UHFFFAOYSA-N
XLogP1.54
TPSA103.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile (CID 126840341) is 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile is CC(C#N)CN(C)c1ncc(C#N)c(N(C)CC(C)C#N)n1.
What is the InChIKey of 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is HHFVEWCJRMPVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-11(5-16)9-21(3)14-13(7-18)8-19-15(20-14)22(4)10-12(2)6-17/h8,11-12H,9-10H2,1-4H3.
What are the key properties of 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile?
2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 297.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-cyanopropyl(methyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 126840341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).