2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile

C8H6N6 — CID 134986949

IUPAC2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
SMILESN#Cc1ccc2c(N)nc(N)nc2n1
InChIInChI=1S/C8H6N6/c9-3-4-1-2-5-6(10)13-8(11)14-7(5)12-4/h1-2H,(H4,10,11,12,13,14)
InChIKeyLBEMYBCMCOJNSI-UHFFFAOYSA-N
MW186.18 g/mol
LogP0.06
Rot. Bonds

About 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile

2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile (PubChem CID 134986949) has the molecular formula C8H6N6 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
PubChem CID134986949
Molecular FormulaC8H6N6
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
SMILESN#Cc1ccc2c(N)nc(N)nc2n1
InChIInChI=1S/C8H6N6/c9-3-4-1-2-5-6(10)13-8(11)14-7(5)12-4/h1-2H,(H4,10,11,12,13,14)
InChIKeyLBEMYBCMCOJNSI-UHFFFAOYSA-N
XLogP0.06
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 133061307
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CID 121227574
6-amino-5-bromopyridine-2-carbonitrile
CID 55252878
pyrimido[4,5-c]pyridazine-5,7-diamine
CID 80518617
5,8-difluoroquinoline-2-carbonitrile
CID 82241045
2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
CID 160928089
7-(3,4-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 18530141
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
5-amino-6-methylpyridine-2-carbonitrile;hydrochloride
CID 70701084
5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride
CID 131846942
5-amino-6-methylpyridine-2-carbonitrile;ethane
CID 156814154
2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
CID 10104269

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile?
The IUPAC name of 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile (CID 134986949) is 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile is N#Cc1ccc2c(N)nc(N)nc2n1.
What is the InChIKey of 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile?
The InChIKey is LBEMYBCMCOJNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6/c9-3-4-1-2-5-6(10)13-8(11)14-7(5)12-4/h1-2H,(H4,10,11,12,13,14).
What are the key properties of 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile?
2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile has a molecular weight of 186.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 134986949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).