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

C15H26N6O — CID 167147075

IUPAC2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(NC(C)(C)C)nc1NC1CCCC(O)C1
InChIInChI=1S/C15H26N6O/c1-15(2,3)21-14-18-8-11(12(16)17)13(20-14)19-9-5-4-6-10(22)7-9/h8-10,22H,4-7H2,1-3H3,(H3,16,17)(H2,18,19,20,21)
InChIKeyNNBSRWNQOQBDAP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.69
Rot. Bonds4

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

2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide (PubChem CID 167147075) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
PubChem CID167147075
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(NC(C)(C)C)nc1NC1CCCC(O)C1
InChIInChI=1S/C15H26N6O/c1-15(2,3)21-14-18-8-11(12(16)17)13(20-14)19-9-5-4-6-10(22)7-9/h8-10,22H,4-7H2,1-3H3,(H3,16,17)(H2,18,19,20,21)
InChIKeyNNBSRWNQOQBDAP-UHFFFAOYSA-N
XLogP1.69
TPSA119.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
CID 167147037
3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167147029
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
2-(tert-butylamino)-4-[(3,3-dideuterio-5-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 140838077
2-[[4-(difluoromethoxy)cyclohexyl]amino]-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 78044372
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
2-[[4-(dimethylcarbamoyl)cyclohexyl]amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66575841
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
The IUPAC name of 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide (CID 167147075) is 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide.
What is the SMILES notation for 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
The canonical SMILES for 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(NC(C)(C)C)nc1NC1CCCC(O)C1.
What is the InChIKey of 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
The InChIKey is NNBSRWNQOQBDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-15(2,3)21-14-18-8-11(12(16)17)13(20-14)19-9-5-4-6-10(22)7-9/h8-10,22H,4-7H2,1-3H3,(H3,16,17)(H2,18,19,20,21).
What are the key properties of 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide?
2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide has a molecular weight of 306.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide is sourced from PubChem (CID 167147075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).