2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide

C12H19N5O — CID 136986723

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C)N(CC1CC1)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C12H19N5O/c1-8(2)17(7-9-3-4-9)12-14-6-5-10(15-12)11(13)16-18/h5-6,8-9,18H,3-4,7H2,1-2H3,(H2,13,16)
InChIKeyDYXIQPODABQWMZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.20
Rot. Bonds5

About 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide

2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136986723) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136986723
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C)N(CC1CC1)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C12H19N5O/c1-8(2)17(7-9-3-4-9)12-14-6-5-10(15-12)11(13)16-18/h5-6,8-9,18H,3-4,7H2,1-2H3,(H2,13,16)
InChIKeyDYXIQPODABQWMZ-UHFFFAOYSA-N
XLogP1.20
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906427
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
CID 136986741
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999576
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906760
2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004521
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 136907412
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide (CID 136986723) is 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide is CC(C)N(CC1CC1)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is DYXIQPODABQWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)17(7-9-3-4-9)12-14-6-5-10(15-12)11(13)16-18/h5-6,8-9,18H,3-4,7H2,1-2H3,(H2,13,16).
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).