4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile

C9H11N5 — CID 130587566

IUPAC4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NC2CC(N)C2)n1
InChIInChI=1S/C9H11N5/c10-5-9-12-2-1-8(14-9)13-7-3-6(11)4-7/h1-2,6-7H,3-4,11H2,(H,12,13,14)
InChIKeyWQUNULADRNGNIP-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.25
Rot. Bonds2

About 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile

4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile (PubChem CID 130587566) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile
PubChem CID130587566
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NC2CC(N)C2)n1
InChIInChI=1S/C9H11N5/c10-5-9-12-2-1-8(14-9)13-7-3-6(11)4-7/h1-2,6-7H,3-4,11H2,(H,12,13,14)
InChIKeyWQUNULADRNGNIP-UHFFFAOYSA-N
XLogP0.25
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
CID 152510354
tert-butyl 3-[(2-cyanopyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 171599537
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
CID 166335295
4-(2-aminopropylamino)pyrimidine-2-carbonitrile
CID 130587580
4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
CID 130587444
(Z)-but-2-ene;4-[[1-[(4-prop-1-en-2-ylphenyl)methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177316228
6-[(3-aminocyclobutyl)amino]pyridine-2-carboxamide
CID 64588385
ethane;4-[[1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177316274
4-[[1-[[4-(2,5-diphenyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177136950
2-[(2-aminocyclopropyl)amino]pyridine-4-carbonitrile
CID 43598882
4-[[1-[[4-(3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349704
1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine
CID 80562273

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile (CID 130587566) is 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile is N#Cc1nccc(NC2CC(N)C2)n1.
What is the InChIKey of 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile?
The InChIKey is WQUNULADRNGNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-5-9-12-2-1-8(14-9)13-7-3-6(11)4-7/h1-2,6-7H,3-4,11H2,(H,12,13,14).
What are the key properties of 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile?
4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 130587566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).