2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide

C15H26N6O2 — CID 167147037

IUPAC2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
SMILESCC(C)(C)Nc1ncc(/C(N)=N\O)c(NC2CCCC(O)C2)n1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)20-14-17-8-11(12(16)21-23)13(19-14)18-9-5-4-6-10(22)7-9/h8-10,22-23H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyGGQUJJDCUKXBDP-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.50
Rot. Bonds4

About 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide

2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide (PubChem CID 167147037) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
PubChem CID167147037
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
SMILESCC(C)(C)Nc1ncc(/C(N)=N\O)c(NC2CCCC(O)C2)n1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)20-14-17-8-11(12(16)21-23)13(19-14)18-9-5-4-6-10(22)7-9/h8-10,22-23H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyGGQUJJDCUKXBDP-UHFFFAOYSA-N
XLogP1.50
TPSA128.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
CID 167147075
3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167147029
2-(tert-butylamino)-4-[(3,3-dideuterio-5-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 140838077
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
tert-butyl N-[4-[[5-carbamoyl-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 118373031
2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide
CID 71237164
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyrimidine-5-carboxamide
CID 118375405
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
CID 167147026
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
The IUPAC name of 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide (CID 167147037) is 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide.
What is the SMILES notation for 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
The canonical SMILES for 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide is CC(C)(C)Nc1ncc(/C(N)=N\O)c(NC2CCCC(O)C2)n1.
What is the InChIKey of 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
The InChIKey is GGQUJJDCUKXBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-15(2,3)20-14-17-8-11(12(16)21-23)13(19-14)18-9-5-4-6-10(22)7-9/h8-10,22-23H,4-7H2,1-3H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide has a molecular weight of 322.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide is sourced from PubChem (CID 167147037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).