4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine

C20H23N5 — CID 143571535

IUPAC4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(/Cc1cccc2ccccc12)c1c(N)ncnc1NC(C)(C)C
InChIInChI=1S/C20H23N5/c1-20(2,3)25-19-17(18(22)23-12-24-19)16(21)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,21H,11H2,1-3H3,(H3,22,23,24,25)/b21-16-
InChIKeyGJUAZSVVJHDJOW-PGMHBOJBSA-N
MW333.44 g/mol
LogP4.03
Rot. Bonds4

About 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine

4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine (PubChem CID 143571535) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine
PubChem CID143571535
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(/Cc1cccc2ccccc12)c1c(N)ncnc1NC(C)(C)C
InChIInChI=1S/C20H23N5/c1-20(2,3)25-19-17(18(22)23-12-24-19)16(21)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,21H,11H2,1-3H3,(H3,22,23,24,25)/b21-16-
InChIKeyGJUAZSVVJHDJOW-PGMHBOJBSA-N
XLogP4.03
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
CID 148645761
4-N-tert-butyl-5-[4-(trifluoromethoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 147808602
1-[4-[2-[4-amino-6-(methylamino)pyrimidin-5-yl]-2-iminoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143978753
2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-N-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 176645174
2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-N-methyl-1H-indole-6-carboxamide
CID 167024107
methyl 2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-1H-indole-6-carboxylate
CID 167082486
3-[[[6-amino-5-(2-fluoroethanimidoyl)pyrimidin-4-yl]amino]methyl]-8-methyl-2-phenylisoquinolin-1-one;ethane
CID 144620402
methyl 2-naphthalen-1-ylethanimidate;hydrochloride
CID 19863964
2-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]-3-chloro-N-propyl-1H-indole-6-carboxamide
CID 176645169
6-hydrazinyl-5-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 80902524
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine (CID 143571535) is 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine is [H]/N=C(/Cc1cccc2ccccc12)c1c(N)ncnc1NC(C)(C)C.
What is the InChIKey of 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine?
The InChIKey is GJUAZSVVJHDJOW-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H23N5/c1-20(2,3)25-19-17(18(22)23-12-24-19)16(21)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,21H,11H2,1-3H3,(H3,22,23,24,25)/b21-16-.
What are the key properties of 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-5-(2-naphthalen-1-ylethanimidoyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 143571535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).